(E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-1-ene-1-sulfonamide;molecular hydrogen

C159H190N22O25S3 — CID 167575877

IUPAC(E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-1-ene-1-sulfonamide;molecular hydrogen
SMILESCOCCNC(=O)/C(C#N)=C(\C)c1ccc(-c2ccc3cc(N4CCN(C)CC4)ccc3c2)o1.COCCNC(=O)/C(C#N)=C(\C)c1ccc(-c2ccc3cc(N4CCOCC4)ccc3c2)o1.COCCNC(=O)/C(C#N)=C(\C)c1ccc(-c2ccc3cc(NCCN4CCOCC4)ccc3c2)o1.COCCNS(=O)(=O)/C(C#N)=C(\C)c1ccc(-c2ccc3cc(N4CCN(C)CC4)ccc3c2)o1.COCCNS(=O)(=O)/C(C#N)=C(\C)c1ccc(-c2ccc3cc(N4CCOCC4)ccc3c2)o1.COCCNS(=O)(=O)/C(C#N)=C(\C)c1ccc(-c2ccc3cc(NCCN4CCOCC4)ccc3c2)o1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C28H32N4O4.C27H32N4O5S.C27H30N4O3.C26H30N4O4S.C26H27N3O4.C25H27N3O5S.6H2/c1-20(25(19-29)28(33)31-10-14-34-2)26-7-8-27(36-26)23-4-3-22-18-24(6-5-21(22)17-23)30-9-11-32-12-15-35-16-13-32;1-20(27(19-28)37(32,33)30-10-14-34-2)25-7-8-26(36-25)23-4-3-22-18-24(6-5-21(22)17-23)29-9-11-31-12-15-35-16-13-31;1-19(24(18-28)27(32)29-10-15-33-3)25-8-9-26(34-25)22-5-4-21-17-23(7-6-20(21)16-22)31-13-11-30(2)12-14-31;1-19(26(18-27)35(31,32)28-10-15-33-3)24-8-9-25(34-24)22-5-4-21-17-23(7-6-20(21)16-22)30-13-11-29(2)12-14-30;1-18(23(17-27)26(30)28-9-12-31-2)24-7-8-25(33-24)21-4-3-20-16-22(6-5-19(20)15-21)29-10-13-32-14-11-29;1-18(25(17-26)34(29,30)27-9-12-31-2)23-7-8-24(33-23)21-4-3-20-16-22(6-5-19(20)15-21)28-10-13-32-14-11-28;;;;;;/h3-8,17-18,30H,9-16H2,1-2H3,(H,31,33);3-8,17-18,29-30H,9-16H2,1-2H3;4-9,16-17H,10-15H2,1-3H3,(H,29,32);4-9,16-17,28H,10-15H2,1-3H3;3-8,15-16H,9-14H2,1-2H3,(H,28,30);3-8,15-16,27H,9-14H2,1-2H3;6*1H/b25-20+;27-20+;24-19+;26-19+;23-18+;25-18+;;;;;;
InChIKeyGNEWFAKRYONYTM-VICQSGIHSA-N
MW2905.60 g/mol
LogP24.38
Rot. Bonds51

About (E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-1-ene-1-sulfonamide;molecular hydrogen

(E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-1-ene-1-sulfonamide;molecular hydrogen (PubChem CID 167575877) has the molecular formula C159H190N22O25S3 and a molecular weight of 2905.60 g/mol. Its IUPAC name is (E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-1-ene-1-sulfonamide;molecular hydrogen.

Molecular Properties

Compound Name(E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-1-ene-1-sulfonamide;molecular hydrogen
PubChem CID167575877
Molecular FormulaC159H190N22O25S3
Molecular Weight2905.60 g/mol
Exact Mass2903.34
IUPAC Name(E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-1-ene-1-sulfonamide;molecular hydrogen
SMILESCOCCNC(=O)/C(C#N)=C(\C)c1ccc(-c2ccc3cc(N4CCN(C)CC4)ccc3c2)o1.COCCNC(=O)/C(C#N)=C(\C)c1ccc(-c2ccc3cc(N4CCOCC4)ccc3c2)o1.COCCNC(=O)/C(C#N)=C(\C)c1ccc(-c2ccc3cc(NCCN4CCOCC4)ccc3c2)o1.COCCNS(=O)(=O)/C(C#N)=C(\C)c1ccc(-c2ccc3cc(N4CCN(C)CC4)ccc3c2)o1.COCCNS(=O)(=O)/C(C#N)=C(\C)c1ccc(-c2ccc3cc(N4CCOCC4)ccc3c2)o1.COCCNS(=O)(=O)/C(C#N)=C(\C)c1ccc(-c2ccc3cc(NCCN4CCOCC4)ccc3c2)o1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C28H32N4O4.C27H32N4O5S.C27H30N4O3.C26H30N4O4S.C26H27N3O4.C25H27N3O5S.6H2/c1-20(25(19-29)28(33)31-10-14-34-2)26-7-8-27(36-26)23-4-3-22-18-24(6-5-21(22)17-23)30-9-11-32-12-15-35-16-13-32;1-20(27(19-28)37(32,33)30-10-14-34-2)25-7-8-26(36-25)23-4-3-22-18-24(6-5-21(22)17-23)29-9-11-31-12-15-35-16-13-31;1-19(24(18-28)27(32)29-10-15-33-3)25-8-9-26(34-25)22-5-4-21-17-23(7-6-20(21)16-22)31-13-11-30(2)12-14-31;1-19(26(18-27)35(31,32)28-10-15-33-3)24-8-9-25(34-24)22-5-4-21-17-23(7-6-20(21)16-22)30-13-11-29(2)12-14-30;1-18(23(17-27)26(30)28-9-12-31-2)24-7-8-25(33-24)21-4-3-20-16-22(6-5-19(20)15-21)29-10-13-32-14-11-29;1-18(25(17-26)34(29,30)27-9-12-31-2)23-7-8-24(33-23)21-4-3-20-16-22(6-5-19(20)15-21)28-10-13-32-14-11-28;;;;;;/h3-8,17-18,30H,9-16H2,1-2H3,(H,31,33);3-8,17-18,29-30H,9-16H2,1-2H3;4-9,16-17H,10-15H2,1-3H3,(H,29,32);4-9,16-17,28H,10-15H2,1-3H3;3-8,15-16H,9-14H2,1-2H3,(H,28,30);3-8,15-16,27H,9-14H2,1-2H3;6*1H/b25-20+;27-20+;24-19+;26-19+;23-18+;25-18+;;;;;;
InChIKeyGNEWFAKRYONYTM-VICQSGIHSA-N
XLogP24.38
TPSA589.67 Ų
H-Bond Donors8
H-Bond Acceptors41
Rotatable Bonds51
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002905.60
LogP ≤ 524.38
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-1-ene-1-sulfonamide;molecular hydrogen with MolForge

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Related Compounds

(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide
CID 122682733
(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
1-cyano-N-(4-hydroxy-2-methylbutan-2-yl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide
CID 123807138
(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
(E)-1-cyano-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]-N-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]prop-1-ene-1-sulfonamide
CID 122684053
(E)-1-cyano-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]prop-1-ene-1-sulfonamide
CID 122683916
(E)-1-cyano-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]-N-[[(2R,3S,4R,5R)-3,4,5-trihydroxy-6-(2-hydroxyethyl)oxan-2-yl]methyl]prop-1-ene-1-sulfonamide
CID 166874347
(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-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide
CID 122682943
(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)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-2-enamide
CID 122682727
(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

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-1-ene-1-sulfonamide;molecular hydrogen?
The IUPAC name of (E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-1-ene-1-sulfonamide;molecular hydrogen (CID 167575877) is (E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-1-ene-1-sulfonamide;molecular hydrogen.
What is the SMILES notation for (E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-1-ene-1-sulfonamide;molecular hydrogen?
The canonical SMILES for (E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-1-ene-1-sulfonamide;molecular hydrogen is COCCNC(=O)/C(C#N)=C(\C)c1ccc(-c2ccc3cc(N4CCN(C)CC4)ccc3c2)o1.COCCNC(=O)/C(C#N)=C(\C)c1ccc(-c2ccc3cc(N4CCOCC4)ccc3c2)o1.COCCNC(=O)/C(C#N)=C(\C)c1ccc(-c2ccc3cc(NCCN4CCOCC4)ccc3c2)o1.COCCNS(=O)(=O)/C(C#N)=C(\C)c1ccc(-c2ccc3cc(N4CCN(C)CC4)ccc3c2)o1.COCCNS(=O)(=O)/C(C#N)=C(\C)c1ccc(-c2ccc3cc(N4CCOCC4)ccc3c2)o1.COCCNS(=O)(=O)/C(C#N)=C(\C)c1ccc(-c2ccc3cc(NCCN4CCOCC4)ccc3c2)o1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of (E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-1-ene-1-sulfonamide;molecular hydrogen?
The InChIKey is GNEWFAKRYONYTM-VICQSGIHSA-N. The full InChI is InChI=1S/C28H32N4O4.C27H32N4O5S.C27H30N4O3.C26H30N4O4S.C26H27N3O4.C25H27N3O5S.6H2/c1-20(25(19-29)28(33)31-10-14-34-2)26-7-8-27(36-26)23-4-3-22-18-24(6-5-21(22)17-23)30-9-11-32-12-15-35-16-13-32;1-20(27(19-28)37(32,33)30-10-14-34-2)25-7-8-26(36-25)23-4-3-22-18-24(6-5-21(22)17-23)29-9-11-31-12-15-35-16-13-31;1-19(24(18-28)27(32)29-10-15-33-3)25-8-9-26(34-25)22-5-4-21-17-23(7-6-20(21)16-22)31-13-11-30(2)12-14-31;1-19(26(18-27)35(31,32)28-10-15-33-3)24-8-9-25(34-24)22-5-4-21-17-23(7-6-20(21)16-22)30-13-11-29(2)12-14-30;1-18(23(17-27)26(30)28-9-12-31-2)24-7-8-25(33-24)21-4-3-20-16-22(6-5-19(20)15-21)29-10-13-32-14-11-29;1-18(25(17-26)34(29,30)27-9-12-31-2)23-7-8-24(33-23)21-4-3-20-16-22(6-5-19(20)15-21)28-10-13-32-14-11-28;;;;;;/h3-8,17-18,30H,9-16H2,1-2H3,(H,31,33);3-8,17-18,29-30H,9-16H2,1-2H3;4-9,16-17H,10-15H2,1-3H3,(H,29,32);4-9,16-17,28H,10-15H2,1-3H3;3-8,15-16H,9-14H2,1-2H3,(H,28,30);3-8,15-16,27H,9-14H2,1-2H3;6*1H/b25-20+;27-20+;24-19+;26-19+;23-18+;25-18+;;;;;;.
What are the key properties of (E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-1-ene-1-sulfonamide;molecular hydrogen?
(E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-1-ene-1-sulfonamide;molecular hydrogen has a molecular weight of 2905.60 g/mol, XLogP of 24.38, 51 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-1-ene-1-sulfonamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]but-2-enamide;(E)-1-cyano-N-(2-methoxyethyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-1-ene-1-sulfonamide;molecular hydrogen is sourced from PubChem (CID 167575877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).