(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

C129H189N23O24S7 — CID 162105742

IUPAC(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
SMILESC/C(=C(/C#N)S(=O)(=O)NCC(O)CO)c1ccc(N2CCN(C)CC2)cc1.CCC(O)CNS(=O)(=O)/C(C#N)=C(\C)c1ccc(N(C)C)cc1.CCC(O)CNS(=O)(=O)/C(C#N)=C(\C)c1ccc(N(CC)CC)cc1.CCC(O)CNS(=O)(=O)/C(C#N)=C(\C)c1ccc(N2CCCCC2)cc1.CCC(O)CNS(=O)(=O)/C(C#N)=C(\C)c1ccc(N2CCOCC2)cc1.CCC(O)CNS(=O)(=O)/C(C#N)=C(\C)c1ccc(NCCN2CCOCC2)cc1.CCCN(CCC)c1ccc(/C(C)=C(\C#N)S(=O)(=O)NCC(O)CC)cc1
InChIInChI=1S/C20H30N4O4S.C20H31N3O3S.C19H27N3O3S.C18H26N4O4S.C18H25N3O4S.C18H27N3O3S.C16H23N3O3S/c1-3-19(25)15-23-29(26,27)20(14-21)16(2)17-4-6-18(7-5-17)22-8-9-24-10-12-28-13-11-24;1-5-12-23(13-6-2)18-10-8-17(9-11-18)16(4)20(14-21)27(25,26)22-15-19(24)7-3;1-3-18(23)14-21-26(24,25)19(13-20)15(2)16-7-9-17(10-8-16)22-11-5-4-6-12-22;1-14(18(11-19)27(25,26)20-12-17(24)13-23)15-3-5-16(6-4-15)22-9-7-21(2)8-10-22;1-3-17(22)13-20-26(23,24)18(12-19)14(2)15-4-6-16(7-5-15)21-8-10-25-11-9-21;1-5-17(22)13-20-25(23,24)18(12-19)14(4)15-8-10-16(11-9-15)21(6-2)7-3;1-5-15(20)11-18-23(21,22)16(10-17)12(2)13-6-8-14(9-7-13)19(3)4/h4-7,19,22-23,25H,3,8-13,15H2,1-2H3;8-11,19,22,24H,5-7,12-13,15H2,1-4H3;7-10,18,21,23H,3-6,11-12,14H2,1-2H3;3-6,17,20,23-24H,7-10,12-13H2,1-2H3;4-7,17,20,22H,3,8-11,13H2,1-2H3;8-11,17,20,22H,5-7,13H2,1-4H3;6-9,15,18,20H,5,11H2,1-4H3/b2*20-16+;19-15+;3*18-14+;16-12+
InChIKeyZFMGUQOWASKPTL-PWNMITQWSA-N
MW2670.54 g/mol
LogP12.86
Rot. Bonds58

About (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

(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 (PubChem CID 162105742) has the molecular formula C129H189N23O24S7 and a molecular weight of 2670.54 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID162105742
Molecular FormulaC129H189N23O24S7
Molecular Weight2670.54 g/mol
Exact Mass2668.23
IUPAC Name(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
SMILESC/C(=C(/C#N)S(=O)(=O)NCC(O)CO)c1ccc(N2CCN(C)CC2)cc1.CCC(O)CNS(=O)(=O)/C(C#N)=C(\C)c1ccc(N(C)C)cc1.CCC(O)CNS(=O)(=O)/C(C#N)=C(\C)c1ccc(N(CC)CC)cc1.CCC(O)CNS(=O)(=O)/C(C#N)=C(\C)c1ccc(N2CCCCC2)cc1.CCC(O)CNS(=O)(=O)/C(C#N)=C(\C)c1ccc(N2CCOCC2)cc1.CCC(O)CNS(=O)(=O)/C(C#N)=C(\C)c1ccc(NCCN2CCOCC2)cc1.CCCN(CCC)c1ccc(/C(C)=C(\C#N)S(=O)(=O)NCC(O)CC)cc1
InChIInChI=1S/C20H30N4O4S.C20H31N3O3S.C19H27N3O3S.C18H26N4O4S.C18H25N3O4S.C18H27N3O3S.C16H23N3O3S/c1-3-19(25)15-23-29(26,27)20(14-21)16(2)17-4-6-18(7-5-17)22-8-9-24-10-12-28-13-11-24;1-5-12-23(13-6-2)18-10-8-17(9-11-18)16(4)20(14-21)27(25,26)22-15-19(24)7-3;1-3-18(23)14-21-26(24,25)19(13-20)15(2)16-7-9-17(10-8-16)22-11-5-4-6-12-22;1-14(18(11-19)27(25,26)20-12-17(24)13-23)15-3-5-16(6-4-15)22-9-7-21(2)8-10-22;1-3-17(22)13-20-26(23,24)18(12-19)14(2)15-4-6-16(7-5-15)21-8-10-25-11-9-21;1-5-17(22)13-20-25(23,24)18(12-19)14(4)15-8-10-16(11-9-15)21(6-2)7-3;1-5-15(20)11-18-23(21,22)16(10-17)12(2)13-6-8-14(9-7-13)19(3)4/h4-7,19,22-23,25H,3,8-13,15H2,1-2H3;8-11,19,22,24H,5-7,12-13,15H2,1-4H3;7-10,18,21,23H,3-6,11-12,14H2,1-2H3;3-6,17,20,23-24H,7-10,12-13H2,1-2H3;4-7,17,20,22H,3,8-11,13H2,1-2H3;8-11,17,20,22H,5-7,13H2,1-4H3;6-9,15,18,20H,5,11H2,1-4H3/b2*20-16+;19-15+;3*18-14+;16-12+
InChIKeyZFMGUQOWASKPTL-PWNMITQWSA-N
XLogP12.86
TPSA707.97 Ų
H-Bond Donors16
H-Bond Acceptors40
Rotatable Bonds58
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002670.54
LogP ≤ 512.86
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze (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 with MolForge

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Related Compounds

(E)-1-cyano-2-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)prop-1-ene-1-sulfonamide;(E)-1-cyano-2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)prop-1-ene-1-sulfonamide;(E)-1-cyano-2-[4-(dipropylamino)phenyl]-N-(2-methoxyethyl)prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[4-(2-morpholin-4-ylethylamino)phenyl]but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-(4-morpholin-4-ylphenyl)but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-(4-morpholin-4-ylphenyl)prop-1-ene-1-sulfonamide;(E)-1-cyano-N-(2-methoxyethyl)-2-(4-piperidin-1-ylphenyl)prop-1-ene-1-sulfonamide
CID 159370637
(E)-2-cyano-3-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-3-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-3-[4-(dipropylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[4-(2-morpholin-4-ylethylamino)phenyl]but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-(4-morpholin-4-ylphenyl)but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)but-2-enamide
CID 159896924
(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
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-[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
1-cyano-N-(2,3-dihydroxypropyl)-2-(6-morpholin-4-ylnaphthalen-2-yl)prop-1-ene-1-sulfonamide
CID 123858773
(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
(Z)-1-cyano-N-(2,3-dihydroxypropyl)-2-(6-piperidin-1-ylnaphthalen-2-yl)prop-1-ene-1-sulfonamide
CID 118949850
2-cyano-N-(2,3-dihydroxypropyl)-3-[4-(2-morpholin-4-ylethylamino)phenyl]but-2-enamide
CID 123511820
(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-N-(2-hydroxybutyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide
CID 122682848

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C/C(=C(/C#N)S(=O)(=O)NCC(O)CO)c1ccc(N2CCN(C)CC2)cc1.CCC(O)CNS(=O)(=O)/C(C#N)=C(\C)c1ccc(N(C)C)cc1.CCC(O)CNS(=O)(=O)/C(C#N)=C(\C)c1ccc(N(CC)CC)cc1.CCC(O)CNS(=O)(=O)/C(C#N)=C(\C)c1ccc(N2CCCCC2)cc1.CCC(O)CNS(=O)(=O)/C(C#N)=C(\C)c1ccc(N2CCOCC2)cc1.CCC(O)CNS(=O)(=O)/C(C#N)=C(\C)c1ccc(NCCN2CCOCC2)cc1.CCCN(CCC)c1ccc(/C(C)=C(\C#N)S(=O)(=O)NCC(O)CC)cc1.
What is the InChIKey of (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?
The InChIKey is ZFMGUQOWASKPTL-PWNMITQWSA-N. The full InChI is InChI=1S/C20H30N4O4S.C20H31N3O3S.C19H27N3O3S.C18H26N4O4S.C18H25N3O4S.C18H27N3O3S.C16H23N3O3S/c1-3-19(25)15-23-29(26,27)20(14-21)16(2)17-4-6-18(7-5-17)22-8-9-24-10-12-28-13-11-24;1-5-12-23(13-6-2)18-10-8-17(9-11-18)16(4)20(14-21)27(25,26)22-15-19(24)7-3;1-3-18(23)14-21-26(24,25)19(13-20)15(2)16-7-9-17(10-8-16)22-11-5-4-6-12-22;1-14(18(11-19)27(25,26)20-12-17(24)13-23)15-3-5-16(6-4-15)22-9-7-21(2)8-10-22;1-3-17(22)13-20-26(23,24)18(12-19)14(2)15-4-6-16(7-5-15)21-8-10-25-11-9-21;1-5-17(22)13-20-25(23,24)18(12-19)14(4)15-8-10-16(11-9-15)21(6-2)7-3;1-5-15(20)11-18-23(21,22)16(10-17)12(2)13-6-8-14(9-7-13)19(3)4/h4-7,19,22-23,25H,3,8-13,15H2,1-2H3;8-11,19,22,24H,5-7,12-13,15H2,1-4H3;7-10,18,21,23H,3-6,11-12,14H2,1-2H3;3-6,17,20,23-24H,7-10,12-13H2,1-2H3;4-7,17,20,22H,3,8-11,13H2,1-2H3;8-11,17,20,22H,5-7,13H2,1-4H3;6-9,15,18,20H,5,11H2,1-4H3/b2*20-16+;19-15+;3*18-14+;16-12+.
What are the key properties of (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?
(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 has a molecular weight of 2670.54 g/mol, XLogP of 12.86, 58 rotatable bonds, 16 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 162105742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).