(E)-1-cyano-2-[6-(diethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(diethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-2-[6-(dimethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dimethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-2-[6-(dipropylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dipropylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(6-morpholin-4-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-morpholin-4-ylnaphthalen-2-yl)prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide

C309H382N46O39S7 — CID 167545083

IUPAC(E)-1-cyano-2-[6-(diethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(diethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-2-[6-(dimethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dimethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-2-[6-(dipropylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dipropylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(6-morpholin-4-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-morpholin-4-ylnaphthalen-2-yl)prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide
SMILESCCC(O)CNC(=O)/C(C#N)=C/c1ccc2cc(N(C)C)ccc2c1.CCC(O)CNC(=O)/C(C#N)=C/c1ccc2cc(N(CC)CC)ccc2c1.CCC(O)CNC(=O)/C(C#N)=C/c1ccc2cc(N3CCCCC3)ccc2c1.CCC(O)CNC(=O)/C(C#N)=C/c1ccc2cc(N3CCN(C)CC3)ccc2c1.CCC(O)CNC(=O)/C(C#N)=C/c1ccc2cc(N3CCOCC3)ccc2c1.CCC(O)CNC(=O)/C(C#N)=C/c1ccc2cc(NCCN3CCOCC3)ccc2c1.CCC(O)CNS(=O)(=O)/C(C#N)=C/c1ccc2cc(N(C)C)ccc2c1.CCC(O)CNS(=O)(=O)/C(C#N)=C/c1ccc2cc(N(CC)CC)ccc2c1.CCC(O)CNS(=O)(=O)/C(C#N)=C/c1ccc2cc(N3CCCCC3)ccc2c1.CCC(O)CNS(=O)(=O)/C(C#N)=C/c1ccc2cc(N3CCN(C)CC3)ccc2c1.CCC(O)CNS(=O)(=O)/C(C#N)=C/c1ccc2cc(N3CCOCC3)ccc2c1.CCC(O)CNS(=O)(=O)/C(C#N)=C/c1ccc2cc(NCCN3CCOCC3)ccc2c1.CCCN(CCC)c1ccc2cc(/C=C(\C#N)C(=O)NCC(O)CC)ccc2c1.CCCN(CCC)c1ccc2cc(/C=C(\C#N)S(=O)(=O)NCC(O)CC)ccc2c1
InChIInChI=1S/C24H30N4O3.C24H31N3O2.C23H30N4O4S.C23H28N4O2.C23H31N3O3S.C23H27N3O2.C22H28N4O3S.C22H27N3O3S.C22H25N3O3.C22H27N3O2.C21H25N3O4S.C21H27N3O3S.C20H23N3O2.C19H23N3O3S/c1-2-23(29)17-27-24(30)21(16-25)14-18-3-4-20-15-22(6-5-19(20)13-18)26-7-8-28-9-11-31-12-10-28;1-4-11-27(12-5-2)22-10-9-19-13-18(7-8-20(19)15-22)14-21(16-25)24(29)26-17-23(28)6-3;1-2-22(28)17-26-32(29,30)23(16-24)14-18-3-4-20-15-21(6-5-19(20)13-18)25-7-8-27-9-11-31-12-10-27;1-3-22(28)16-25-23(29)20(15-24)13-17-4-5-19-14-21(7-6-18(19)12-17)27-10-8-26(2)9-11-27;1-4-11-26(12-5-2)21-10-9-19-13-18(7-8-20(19)15-21)14-23(16-24)30(28,29)25-17-22(27)6-3;1-2-22(27)16-25-23(28)20(15-24)13-17-6-7-19-14-21(9-8-18(19)12-17)26-10-4-3-5-11-26;1-3-21(27)16-24-30(28,29)22(15-23)13-17-4-5-19-14-20(7-6-18(19)12-17)26-10-8-25(2)9-11-26;1-2-21(26)16-24-29(27,28)22(15-23)13-17-6-7-19-14-20(9-8-18(19)12-17)25-10-4-3-5-11-25;1-2-21(26)15-24-22(27)19(14-23)12-16-3-4-18-13-20(6-5-17(18)11-16)25-7-9-28-10-8-25;1-4-21(26)15-24-22(27)19(14-23)12-16-7-8-18-13-20(25(5-2)6-3)10-9-17(18)11-16;1-2-20(25)15-23-29(26,27)21(14-22)12-16-3-4-18-13-19(6-5-17(18)11-16)24-7-9-28-10-8-24;1-4-20(25)15-23-28(26,27)21(14-22)12-16-7-8-18-13-19(24(5-2)6-3)10-9-17(18)11-16;1-4-19(24)13-22-20(25)17(12-21)10-14-5-6-16-11-18(23(2)3)8-7-15(16)9-14;1-4-18(23)13-21-26(24,25)19(12-20)10-14-5-6-16-11-17(22(2)3)8-7-15(16)9-14/h3-6,13-15,23,26,29H,2,7-12,17H2,1H3,(H,27,30);7-10,13-15,23,28H,4-6,11-12,17H2,1-3H3,(H,26,29);3-6,13-15,22,25-26,28H,2,7-12,17H2,1H3;4-7,12-14,22,28H,3,8-11,16H2,1-2H3,(H,25,29);7-10,13-15,22,25,27H,4-6,11-12,17H2,1-3H3;6-9,12-14,22,27H,2-5,10-11,16H2,1H3,(H,25,28);4-7,12-14,21,24,27H,3,8-11,16H2,1-2H3;6-9,12-14,21,24,26H,2-5,10-11,16H2,1H3;3-6,11-13,21,26H,2,7-10,15H2,1H3,(H,24,27);7-13,21,26H,4-6,15H2,1-3H3,(H,24,27);3-6,11-13,20,23,25H,2,7-10,15H2,1H3;7-13,20,23,25H,4-6,15H2,1-3H3;5-11,19,24H,4,13H2,1-3H3,(H,22,25);5-11,18,21,23H,4,13H2,1-3H3/b2*21-14+;23-14+;20-13+;23-14+;20-13+;2*22-13+;2*19-12+;2*21-12+;17-10+;19-10+
InChIKeyBRLWBVUGZWUOOX-JVOUCUGHSA-N
MW5589.21 g/mol
LogP40.92
Rot. Bonds109

About (E)-1-cyano-2-[6-(diethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(diethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-2-[6-(dimethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dimethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-2-[6-(dipropylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dipropylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(6-morpholin-4-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-morpholin-4-ylnaphthalen-2-yl)prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide

(E)-1-cyano-2-[6-(diethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(diethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-2-[6-(dimethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dimethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-2-[6-(dipropylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dipropylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(6-morpholin-4-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-morpholin-4-ylnaphthalen-2-yl)prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide (PubChem CID 167545083) has the molecular formula C309H382N46O39S7 and a molecular weight of 5589.21 g/mol. Its IUPAC name is (E)-1-cyano-2-[6-(diethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(diethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-2-[6-(dimethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dimethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-2-[6-(dipropylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dipropylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(6-morpholin-4-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-morpholin-4-ylnaphthalen-2-yl)prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-1-cyano-2-[6-(diethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(diethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-2-[6-(dimethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dimethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-2-[6-(dipropylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dipropylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(6-morpholin-4-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-morpholin-4-ylnaphthalen-2-yl)prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide
PubChem CID167545083
Molecular FormulaC309H382N46O39S7
Molecular Weight5589.21 g/mol
Exact Mass5584.74
IUPAC Name(E)-1-cyano-2-[6-(diethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(diethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-2-[6-(dimethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dimethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-2-[6-(dipropylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dipropylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(6-morpholin-4-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-morpholin-4-ylnaphthalen-2-yl)prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide
SMILESCCC(O)CNC(=O)/C(C#N)=C/c1ccc2cc(N(C)C)ccc2c1.CCC(O)CNC(=O)/C(C#N)=C/c1ccc2cc(N(CC)CC)ccc2c1.CCC(O)CNC(=O)/C(C#N)=C/c1ccc2cc(N3CCCCC3)ccc2c1.CCC(O)CNC(=O)/C(C#N)=C/c1ccc2cc(N3CCN(C)CC3)ccc2c1.CCC(O)CNC(=O)/C(C#N)=C/c1ccc2cc(N3CCOCC3)ccc2c1.CCC(O)CNC(=O)/C(C#N)=C/c1ccc2cc(NCCN3CCOCC3)ccc2c1.CCC(O)CNS(=O)(=O)/C(C#N)=C/c1ccc2cc(N(C)C)ccc2c1.CCC(O)CNS(=O)(=O)/C(C#N)=C/c1ccc2cc(N(CC)CC)ccc2c1.CCC(O)CNS(=O)(=O)/C(C#N)=C/c1ccc2cc(N3CCCCC3)ccc2c1.CCC(O)CNS(=O)(=O)/C(C#N)=C/c1ccc2cc(N3CCN(C)CC3)ccc2c1.CCC(O)CNS(=O)(=O)/C(C#N)=C/c1ccc2cc(N3CCOCC3)ccc2c1.CCC(O)CNS(=O)(=O)/C(C#N)=C/c1ccc2cc(NCCN3CCOCC3)ccc2c1.CCCN(CCC)c1ccc2cc(/C=C(\C#N)C(=O)NCC(O)CC)ccc2c1.CCCN(CCC)c1ccc2cc(/C=C(\C#N)S(=O)(=O)NCC(O)CC)ccc2c1
InChIInChI=1S/C24H30N4O3.C24H31N3O2.C23H30N4O4S.C23H28N4O2.C23H31N3O3S.C23H27N3O2.C22H28N4O3S.C22H27N3O3S.C22H25N3O3.C22H27N3O2.C21H25N3O4S.C21H27N3O3S.C20H23N3O2.C19H23N3O3S/c1-2-23(29)17-27-24(30)21(16-25)14-18-3-4-20-15-22(6-5-19(20)13-18)26-7-8-28-9-11-31-12-10-28;1-4-11-27(12-5-2)22-10-9-19-13-18(7-8-20(19)15-22)14-21(16-25)24(29)26-17-23(28)6-3;1-2-22(28)17-26-32(29,30)23(16-24)14-18-3-4-20-15-21(6-5-19(20)13-18)25-7-8-27-9-11-31-12-10-27;1-3-22(28)16-25-23(29)20(15-24)13-17-4-5-19-14-21(7-6-18(19)12-17)27-10-8-26(2)9-11-27;1-4-11-26(12-5-2)21-10-9-19-13-18(7-8-20(19)15-21)14-23(16-24)30(28,29)25-17-22(27)6-3;1-2-22(27)16-25-23(28)20(15-24)13-17-6-7-19-14-21(9-8-18(19)12-17)26-10-4-3-5-11-26;1-3-21(27)16-24-30(28,29)22(15-23)13-17-4-5-19-14-20(7-6-18(19)12-17)26-10-8-25(2)9-11-26;1-2-21(26)16-24-29(27,28)22(15-23)13-17-6-7-19-14-20(9-8-18(19)12-17)25-10-4-3-5-11-25;1-2-21(26)15-24-22(27)19(14-23)12-16-3-4-18-13-20(6-5-17(18)11-16)25-7-9-28-10-8-25;1-4-21(26)15-24-22(27)19(14-23)12-16-7-8-18-13-20(25(5-2)6-3)10-9-17(18)11-16;1-2-20(25)15-23-29(26,27)21(14-22)12-16-3-4-18-13-19(6-5-17(18)11-16)24-7-9-28-10-8-24;1-4-20(25)15-23-28(26,27)21(14-22)12-16-7-8-18-13-19(24(5-2)6-3)10-9-17(18)11-16;1-4-19(24)13-22-20(25)17(12-21)10-14-5-6-16-11-18(23(2)3)8-7-15(16)9-14;1-4-18(23)13-21-26(24,25)19(12-20)10-14-5-6-16-11-17(22(2)3)8-7-15(16)9-14/h3-6,13-15,23,26,29H,2,7-12,17H2,1H3,(H,27,30);7-10,13-15,23,28H,4-6,11-12,17H2,1-3H3,(H,26,29);3-6,13-15,22,25-26,28H,2,7-12,17H2,1H3;4-7,12-14,22,28H,3,8-11,16H2,1-2H3,(H,25,29);7-10,13-15,22,25,27H,4-6,11-12,17H2,1-3H3;6-9,12-14,22,27H,2-5,10-11,16H2,1H3,(H,25,28);4-7,12-14,21,24,27H,3,8-11,16H2,1-2H3;6-9,12-14,21,24,26H,2-5,10-11,16H2,1H3;3-6,11-13,21,26H,2,7-10,15H2,1H3,(H,24,27);7-13,21,26H,4-6,15H2,1-3H3,(H,24,27);3-6,11-13,20,23,25H,2,7-10,15H2,1H3;7-13,20,23,25H,4-6,15H2,1-3H3;5-11,19,24H,4,13H2,1-3H3,(H,22,25);5-11,18,21,23H,4,13H2,1-3H3/b2*21-14+;23-14+;20-13+;23-14+;20-13+;2*22-13+;2*19-12+;2*21-12+;17-10+;19-10+
InChIKeyBRLWBVUGZWUOOX-JVOUCUGHSA-N
XLogP40.92
TPSA1255.99 Ų
H-Bond Donors30
H-Bond Acceptors71
Rotatable Bonds109
Heavy Atoms401
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005589.21
LogP ≤ 540.92
H-Bond Donors ≤ 530
H-Bond Acceptors ≤ 1071

Analyze (E)-1-cyano-2-[6-(diethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(diethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-2-[6-(dimethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dimethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-2-[6-(dipropylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dipropylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(6-morpholin-4-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-morpholin-4-ylnaphthalen-2-yl)prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide with MolForge

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Related Compounds

(E)-1-cyano-2-[6-(diethylamino)naphthalen-2-yl]-N-(2-methoxyethyl)ethenesulfonamide;(E)-2-cyano-3-[6-(diethylamino)naphthalen-2-yl]-N-(2-methoxyethyl)prop-2-enamide;(E)-2-cyano-3-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)prop-2-enamide;(E)-1-cyano-2-[6-(dimethylamino)naphthalen-2-yl]-N-(2-methoxyethyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dimethylamino)naphthalen-2-yl]-N-(2-methoxyethyl)prop-2-enamide;(E)-2-cyano-3-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)prop-2-enamide;(E)-1-cyano-2-[6-(dipropylamino)naphthalen-2-yl]-N-(2-methoxyethyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dipropylamino)naphthalen-2-yl]-N-(2-methoxyethyl)prop-2-enamide;(E)-2-cyano-3-[4-(dipropylamino)phenyl]-N-(2-methoxyethyl)prop-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-(6-morpholin-4-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-(6-morpholin-4-ylnaphthalen-2-yl)prop-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide
CID 160709966
(E)-1-cyano-2-[6-(diethylamino)naphthalen-2-yl]-N-[[1-[[(2R,3S,4R,5R,6S)-3,4-dihydroxy-6-methoxy-5-methyloxan-2-yl]methyl]triazol-4-yl]methyl]ethenesulfonamide;(E)-1-cyano-N-[[1-[[(2R,3S,4R,5R,6S)-3,4-dihydroxy-6-methoxy-5-methyloxan-2-yl]methyl]triazol-4-yl]methyl]-2-[6-(dimethylamino)naphthalen-2-yl]ethenesulfonamide;(E)-1-cyano-N-[[1-[[(2R,3S,4R,5R,6S)-3,4-dihydroxy-6-methoxy-5-methyloxan-2-yl]methyl]triazol-4-yl]methyl]-2-[6-(dipropylamino)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[[1-[[(2R,3S,4R,5R,6S)-3,4-dihydroxy-6-methoxy-5-methyloxan-2-yl]methyl]triazol-4-yl]methyl]-3-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-[[1-[[(2R,3S,4R,5R,6S)-3,4-dihydroxy-6-methoxy-5-methyloxan-2-yl]methyl]triazol-4-yl]methyl]-2-(6-morpholin-4-ylnaphthalen-2-yl)ethenesulfonamide;(E)-1-cyano-N-[[1-[[(2R,3S,4R,5R,6S)-3,4-dihydroxy-6-methoxy-5-methyloxan-2-yl]methyl]triazol-4-yl]methyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide
CID 161305707
(E)-1-cyano-N-(2-hydroxybutyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide
CID 161375331
(E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-2-enamide
CID 167710615
(E)-1-cyano-N-(2-hydroxybutyl)-2-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]ethenesulfonamide
CID 122682489
(E)-1-cyano-2-[4-(diethylamino)phenyl]-N-(2-hydroxybutyl)prop-1-ene-1-sulfonamide;(E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[4-(4-methylpiperazin-1-yl)phenyl]prop-1-ene-1-sulfonamide;(E)-1-cyano-2-[4-(dimethylamino)phenyl]-N-(2-hydroxybutyl)prop-1-ene-1-sulfonamide;(E)-1-cyano-2-[4-(dipropylamino)phenyl]-N-(2-hydroxybutyl)prop-1-ene-1-sulfonamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[4-(2-morpholin-4-ylethylamino)phenyl]prop-1-ene-1-sulfonamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(4-morpholin-4-ylphenyl)prop-1-ene-1-sulfonamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(4-piperidin-1-ylphenyl)prop-1-ene-1-sulfonamide
CID 162105742
(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-morpholin-4-ylnaphthalen-2-yl)prop-2-enamide
CID 122682464
(E)-1-cyano-N-(2-hydroxybutyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide
CID 158661075
2-cyano-N-(2,3-dihydroxypropyl)-3-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]prop-2-enamide
CID 123343494
(E)-1-cyano-2-[4-(diethylamino)phenyl]-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]ethenesulfonamide;(E)-1-cyano-2-[4-(dimethylamino)phenyl]-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]ethenesulfonamide;(E)-1-cyano-2-[4-[ethyl(propyl)amino]phenyl]-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]ethenesulfonamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[4-(2-morpholin-4-ylethylamino)phenyl]ethenesulfonamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-(4-morpholin-4-ylphenyl)ethenesulfonamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-(4-piperidin-1-ylphenyl)ethenesulfonamide;(E)-1-cyano-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethenesulfonamide
CID 163803553
2-[6-(diethylamino)naphthalen-2-yl]benzonitrile;2-[4-(diethylamino)phenyl]benzonitrile;2-[6-(dimethylamino)naphthalen-2-yl]benzonitrile;2-[4-(dipropylamino)phenyl]benzonitrile;2-[4-(4-methylpiperazin-1-yl)phenyl]benzonitrile;2-[4-(2-morpholin-4-ylethylamino)phenyl]benzonitrile;2-(4-morpholin-4-ylphenyl)benzonitrile;2-(4-piperidin-1-ylphenyl)benzonitrile
CID 159726231
(E)-1-cyano-2-[6-(dipropylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide
CID 122682521

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyano-2-[6-(diethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(diethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-2-[6-(dimethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dimethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-2-[6-(dipropylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dipropylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(6-morpholin-4-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-morpholin-4-ylnaphthalen-2-yl)prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide?
The IUPAC name of (E)-1-cyano-2-[6-(diethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(diethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-2-[6-(dimethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dimethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-2-[6-(dipropylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dipropylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(6-morpholin-4-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-morpholin-4-ylnaphthalen-2-yl)prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide (CID 167545083) is (E)-1-cyano-2-[6-(diethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(diethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-2-[6-(dimethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dimethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-2-[6-(dipropylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dipropylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(6-morpholin-4-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-morpholin-4-ylnaphthalen-2-yl)prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-1-cyano-2-[6-(diethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(diethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-2-[6-(dimethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dimethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-2-[6-(dipropylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dipropylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(6-morpholin-4-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-morpholin-4-ylnaphthalen-2-yl)prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-1-cyano-2-[6-(diethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(diethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-2-[6-(dimethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dimethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-2-[6-(dipropylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dipropylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(6-morpholin-4-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-morpholin-4-ylnaphthalen-2-yl)prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide is CCC(O)CNC(=O)/C(C#N)=C/c1ccc2cc(N(C)C)ccc2c1.CCC(O)CNC(=O)/C(C#N)=C/c1ccc2cc(N(CC)CC)ccc2c1.CCC(O)CNC(=O)/C(C#N)=C/c1ccc2cc(N3CCCCC3)ccc2c1.CCC(O)CNC(=O)/C(C#N)=C/c1ccc2cc(N3CCN(C)CC3)ccc2c1.CCC(O)CNC(=O)/C(C#N)=C/c1ccc2cc(N3CCOCC3)ccc2c1.CCC(O)CNC(=O)/C(C#N)=C/c1ccc2cc(NCCN3CCOCC3)ccc2c1.CCC(O)CNS(=O)(=O)/C(C#N)=C/c1ccc2cc(N(C)C)ccc2c1.CCC(O)CNS(=O)(=O)/C(C#N)=C/c1ccc2cc(N(CC)CC)ccc2c1.CCC(O)CNS(=O)(=O)/C(C#N)=C/c1ccc2cc(N3CCCCC3)ccc2c1.CCC(O)CNS(=O)(=O)/C(C#N)=C/c1ccc2cc(N3CCN(C)CC3)ccc2c1.CCC(O)CNS(=O)(=O)/C(C#N)=C/c1ccc2cc(N3CCOCC3)ccc2c1.CCC(O)CNS(=O)(=O)/C(C#N)=C/c1ccc2cc(NCCN3CCOCC3)ccc2c1.CCCN(CCC)c1ccc2cc(/C=C(\C#N)C(=O)NCC(O)CC)ccc2c1.CCCN(CCC)c1ccc2cc(/C=C(\C#N)S(=O)(=O)NCC(O)CC)ccc2c1.
What is the InChIKey of (E)-1-cyano-2-[6-(diethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(diethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-2-[6-(dimethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dimethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-2-[6-(dipropylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dipropylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(6-morpholin-4-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-morpholin-4-ylnaphthalen-2-yl)prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide?
The InChIKey is BRLWBVUGZWUOOX-JVOUCUGHSA-N. The full InChI is InChI=1S/C24H30N4O3.C24H31N3O2.C23H30N4O4S.C23H28N4O2.C23H31N3O3S.C23H27N3O2.C22H28N4O3S.C22H27N3O3S.C22H25N3O3.C22H27N3O2.C21H25N3O4S.C21H27N3O3S.C20H23N3O2.C19H23N3O3S/c1-2-23(29)17-27-24(30)21(16-25)14-18-3-4-20-15-22(6-5-19(20)13-18)26-7-8-28-9-11-31-12-10-28;1-4-11-27(12-5-2)22-10-9-19-13-18(7-8-20(19)15-22)14-21(16-25)24(29)26-17-23(28)6-3;1-2-22(28)17-26-32(29,30)23(16-24)14-18-3-4-20-15-21(6-5-19(20)13-18)25-7-8-27-9-11-31-12-10-27;1-3-22(28)16-25-23(29)20(15-24)13-17-4-5-19-14-21(7-6-18(19)12-17)27-10-8-26(2)9-11-27;1-4-11-26(12-5-2)21-10-9-19-13-18(7-8-20(19)15-21)14-23(16-24)30(28,29)25-17-22(27)6-3;1-2-22(27)16-25-23(28)20(15-24)13-17-6-7-19-14-21(9-8-18(19)12-17)26-10-4-3-5-11-26;1-3-21(27)16-24-30(28,29)22(15-23)13-17-4-5-19-14-20(7-6-18(19)12-17)26-10-8-25(2)9-11-26;1-2-21(26)16-24-29(27,28)22(15-23)13-17-6-7-19-14-20(9-8-18(19)12-17)25-10-4-3-5-11-25;1-2-21(26)15-24-22(27)19(14-23)12-16-3-4-18-13-20(6-5-17(18)11-16)25-7-9-28-10-8-25;1-4-21(26)15-24-22(27)19(14-23)12-16-7-8-18-13-20(25(5-2)6-3)10-9-17(18)11-16;1-2-20(25)15-23-29(26,27)21(14-22)12-16-3-4-18-13-19(6-5-17(18)11-16)24-7-9-28-10-8-24;1-4-20(25)15-23-28(26,27)21(14-22)12-16-7-8-18-13-19(24(5-2)6-3)10-9-17(18)11-16;1-4-19(24)13-22-20(25)17(12-21)10-14-5-6-16-11-18(23(2)3)8-7-15(16)9-14;1-4-18(23)13-21-26(24,25)19(12-20)10-14-5-6-16-11-17(22(2)3)8-7-15(16)9-14/h3-6,13-15,23,26,29H,2,7-12,17H2,1H3,(H,27,30);7-10,13-15,23,28H,4-6,11-12,17H2,1-3H3,(H,26,29);3-6,13-15,22,25-26,28H,2,7-12,17H2,1H3;4-7,12-14,22,28H,3,8-11,16H2,1-2H3,(H,25,29);7-10,13-15,22,25,27H,4-6,11-12,17H2,1-3H3;6-9,12-14,22,27H,2-5,10-11,16H2,1H3,(H,25,28);4-7,12-14,21,24,27H,3,8-11,16H2,1-2H3;6-9,12-14,21,24,26H,2-5,10-11,16H2,1H3;3-6,11-13,21,26H,2,7-10,15H2,1H3,(H,24,27);7-13,21,26H,4-6,15H2,1-3H3,(H,24,27);3-6,11-13,20,23,25H,2,7-10,15H2,1H3;7-13,20,23,25H,4-6,15H2,1-3H3;5-11,19,24H,4,13H2,1-3H3,(H,22,25);5-11,18,21,23H,4,13H2,1-3H3/b2*21-14+;23-14+;20-13+;23-14+;20-13+;2*22-13+;2*19-12+;2*21-12+;17-10+;19-10+.
What are the key properties of (E)-1-cyano-2-[6-(diethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(diethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-2-[6-(dimethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dimethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-2-[6-(dipropylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dipropylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(6-morpholin-4-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-morpholin-4-ylnaphthalen-2-yl)prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide?
(E)-1-cyano-2-[6-(diethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(diethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-2-[6-(dimethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dimethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-2-[6-(dipropylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dipropylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(6-morpholin-4-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-morpholin-4-ylnaphthalen-2-yl)prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide has a molecular weight of 5589.21 g/mol, XLogP of 40.92, 109 rotatable bonds, 30 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyano-2-[6-(diethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(diethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-2-[6-(dimethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dimethylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-2-[6-(dipropylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)ethenesulfonamide;(E)-2-cyano-3-[6-(dipropylamino)naphthalen-2-yl]-N-(2-hydroxybutyl)prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(6-morpholin-4-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-morpholin-4-ylnaphthalen-2-yl)prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enamide is sourced from PubChem (CID 167545083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).