2-[3-[[4-(4-chloro-3H-pyrrol-2-yl)-2-methylphenyl]methyl]phenyl]-1-(3-methoxyphenyl)ethanone;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[4-[[4-(7-hydroxyheptanoyl)-2-methylphenyl]methyl]phenyl]-3-methoxybenzamide;7-hydroxy-1-[4-[[3-[2-(3-methoxyphenyl)-2-oxoethyl]phenyl]methyl]-3-methylphenyl]heptan-1-one;N-[4-[4-(5-hydroxypentylcarbamoyl)anilino]phenyl]-3-methoxybenzamide;N-[4-[4-[5-(2-hydroxypropan-2-yl)-3H-pyrazol-3-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide

C273H289ClF3N37O27 — CID 159547840

IUPAC2-[3-[[4-(4-chloro-3H-pyrrol-2-yl)-2-methylphenyl]methyl]phenyl]-1-(3-methoxyphenyl)ethanone;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[4-[[4-(7-hydroxyheptanoyl)-2-methylphenyl]methyl]phenyl]-3-methoxybenzamide;7-hydroxy-1-[4-[[3-[2-(3-methoxyphenyl)-2-oxoethyl]phenyl]methyl]-3-methylphenyl]heptan-1-one;N-[4-[4-(5-hydroxypentylcarbamoyl)anilino]phenyl]-3-methoxybenzamide;N-[4-[4-[5-(2-hydroxypropan-2-yl)-3H-pyrazol-3-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide
SMILESCCN(CC)Cc1cn(-c2cccc(Nc3ccc(NC(=O)c4ccc(OC(F)(F)F)cc4)cc3)c2)nn1.CCN(CC)Cc1cn(-c2cccc(Nc3ccc(NC(=O)c4cccc(OC)c4)cc3)c2)nn1.CCN(CC)Cc1cn(-c2cccc(Nc3ccc(NC(=O)c4ccccc4)cc3)c2)nn1.CCN(CC)Cc1cn(-c2cccc(Nc3ccc(NC(=O)c4ccccc4OC)cc3)c2)nn1.COc1ccc(C(=O)Nc2ccc(Nc3cccc(C(=O)CCCCn4ccnc4)c3)cc2)cc1.COc1cccc(C(=O)Cc2cccc(Cc3ccc(C(=O)CCCCCCO)cc3C)c2)c1.COc1cccc(C(=O)Cc2cccc(Cc3ccc(C4=NC=C(Cl)C4)cc3C)c2)c1.COc1cccc(C(=O)Nc2ccc(Cc3ccc(C(=O)CCCCCCO)cc3C)cc2)c1.COc1cccc(C(=O)Nc2ccc(Nc3ccc(C(=O)NCCCCCO)cc3)cc2)c1.COc1cccc(C(=O)Nc2ccc(Nc3ccc(C4C=C(C(C)(C)O)N=N4)cc3)cc2)c1
InChIInChI=1S/C30H34O4.C29H33NO4.C28H28N4O3.C27H24ClNO2.C27H27F3N6O2.2C27H30N6O2.C26H28N6O.C26H26N4O3.C26H29N3O4/c1-22-17-27(29(32)13-5-3-4-6-16-31)15-14-25(22)19-23-9-7-10-24(18-23)20-30(33)26-11-8-12-28(21-26)34-2;1-21-18-24(28(32)10-5-3-4-6-17-31)14-13-23(21)19-22-11-15-26(16-12-22)30-29(33)25-8-7-9-27(20-25)34-2;1-35-26-14-8-21(9-15-26)28(34)31-24-12-10-23(11-13-24)30-25-6-4-5-22(19-25)27(33)7-2-3-17-32-18-16-29-20-32;1-18-11-22(26-16-24(28)17-29-26)10-9-21(18)13-19-5-3-6-20(12-19)14-27(30)23-7-4-8-25(15-23)31-2;1-3-35(4-2)17-23-18-36(34-33-23)24-7-5-6-22(16-24)31-20-10-12-21(13-11-20)32-26(37)19-8-14-25(15-9-19)38-27(28,29)30;1-4-32(5-2)18-24-19-33(31-30-24)25-10-7-9-23(17-25)28-21-12-14-22(15-13-21)29-27(34)20-8-6-11-26(16-20)35-3;1-4-32(5-2)18-23-19-33(31-30-23)24-10-8-9-22(17-24)28-20-13-15-21(16-14-20)29-27(34)25-11-6-7-12-26(25)35-3;1-3-31(4-2)18-24-19-32(30-29-24)25-12-8-11-23(17-25)27-21-13-15-22(16-14-21)28-26(33)20-9-6-5-7-10-20;1-26(2,32)24-16-23(29-30-24)17-7-9-19(10-8-17)27-20-11-13-21(14-12-20)28-25(31)18-5-4-6-22(15-18)33-3;1-33-24-7-5-6-20(18-24)26(32)29-23-14-12-22(13-15-23)28-21-10-8-19(9-11-21)25(31)27-16-3-2-4-17-30/h7-12,14-15,17-18,21,31H,3-6,13,16,19-20H2,1-2H3;7-9,11-16,18,20,31H,3-6,10,17,19H2,1-2H3,(H,30,33);4-6,8-16,18-20,30H,2-3,7,17H2,1H3,(H,31,34);3-12,15,17H,13-14,16H2,1-2H3;5-16,18,31H,3-4,17H2,1-2H3,(H,32,37);2*6-17,19,28H,4-5,18H2,1-3H3,(H,29,34);5-17,19,27H,3-4,18H2,1-2H3,(H,28,33);4-16,23,27,32H,1-3H3,(H,28,31);5-15,18,28,30H,2-4,16-17H2,1H3,(H,27,31)(H,29,32)
InChIKeyMFADDWXXNCOWHQ-UHFFFAOYSA-N
MW4612.99 g/mol
LogP56.12
Rot. Bonds100

About 2-[3-[[4-(4-chloro-3H-pyrrol-2-yl)-2-methylphenyl]methyl]phenyl]-1-(3-methoxyphenyl)ethanone;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[4-[[4-(7-hydroxyheptanoyl)-2-methylphenyl]methyl]phenyl]-3-methoxybenzamide;7-hydroxy-1-[4-[[3-[2-(3-methoxyphenyl)-2-oxoethyl]phenyl]methyl]-3-methylphenyl]heptan-1-one;N-[4-[4-(5-hydroxypentylcarbamoyl)anilino]phenyl]-3-methoxybenzamide;N-[4-[4-[5-(2-hydroxypropan-2-yl)-3H-pyrazol-3-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide

2-[3-[[4-(4-chloro-3H-pyrrol-2-yl)-2-methylphenyl]methyl]phenyl]-1-(3-methoxyphenyl)ethanone;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[4-[[4-(7-hydroxyheptanoyl)-2-methylphenyl]methyl]phenyl]-3-methoxybenzamide;7-hydroxy-1-[4-[[3-[2-(3-methoxyphenyl)-2-oxoethyl]phenyl]methyl]-3-methylphenyl]heptan-1-one;N-[4-[4-(5-hydroxypentylcarbamoyl)anilino]phenyl]-3-methoxybenzamide;N-[4-[4-[5-(2-hydroxypropan-2-yl)-3H-pyrazol-3-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide (PubChem CID 159547840) has the molecular formula C273H289ClF3N37O27 and a molecular weight of 4612.99 g/mol. Its IUPAC name is 2-[3-[[4-(4-chloro-3H-pyrrol-2-yl)-2-methylphenyl]methyl]phenyl]-1-(3-methoxyphenyl)ethanone;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[4-[[4-(7-hydroxyheptanoyl)-2-methylphenyl]methyl]phenyl]-3-methoxybenzamide;7-hydroxy-1-[4-[[3-[2-(3-methoxyphenyl)-2-oxoethyl]phenyl]methyl]-3-methylphenyl]heptan-1-one;N-[4-[4-(5-hydroxypentylcarbamoyl)anilino]phenyl]-3-methoxybenzamide;N-[4-[4-[5-(2-hydroxypropan-2-yl)-3H-pyrazol-3-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound Name2-[3-[[4-(4-chloro-3H-pyrrol-2-yl)-2-methylphenyl]methyl]phenyl]-1-(3-methoxyphenyl)ethanone;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[4-[[4-(7-hydroxyheptanoyl)-2-methylphenyl]methyl]phenyl]-3-methoxybenzamide;7-hydroxy-1-[4-[[3-[2-(3-methoxyphenyl)-2-oxoethyl]phenyl]methyl]-3-methylphenyl]heptan-1-one;N-[4-[4-(5-hydroxypentylcarbamoyl)anilino]phenyl]-3-methoxybenzamide;N-[4-[4-[5-(2-hydroxypropan-2-yl)-3H-pyrazol-3-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide
PubChem CID159547840
Molecular FormulaC273H289ClF3N37O27
Molecular Weight4612.99 g/mol
Exact Mass4609.20
IUPAC Name2-[3-[[4-(4-chloro-3H-pyrrol-2-yl)-2-methylphenyl]methyl]phenyl]-1-(3-methoxyphenyl)ethanone;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[4-[[4-(7-hydroxyheptanoyl)-2-methylphenyl]methyl]phenyl]-3-methoxybenzamide;7-hydroxy-1-[4-[[3-[2-(3-methoxyphenyl)-2-oxoethyl]phenyl]methyl]-3-methylphenyl]heptan-1-one;N-[4-[4-(5-hydroxypentylcarbamoyl)anilino]phenyl]-3-methoxybenzamide;N-[4-[4-[5-(2-hydroxypropan-2-yl)-3H-pyrazol-3-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide
SMILESCCN(CC)Cc1cn(-c2cccc(Nc3ccc(NC(=O)c4ccc(OC(F)(F)F)cc4)cc3)c2)nn1.CCN(CC)Cc1cn(-c2cccc(Nc3ccc(NC(=O)c4cccc(OC)c4)cc3)c2)nn1.CCN(CC)Cc1cn(-c2cccc(Nc3ccc(NC(=O)c4ccccc4)cc3)c2)nn1.CCN(CC)Cc1cn(-c2cccc(Nc3ccc(NC(=O)c4ccccc4OC)cc3)c2)nn1.COc1ccc(C(=O)Nc2ccc(Nc3cccc(C(=O)CCCCn4ccnc4)c3)cc2)cc1.COc1cccc(C(=O)Cc2cccc(Cc3ccc(C(=O)CCCCCCO)cc3C)c2)c1.COc1cccc(C(=O)Cc2cccc(Cc3ccc(C4=NC=C(Cl)C4)cc3C)c2)c1.COc1cccc(C(=O)Nc2ccc(Cc3ccc(C(=O)CCCCCCO)cc3C)cc2)c1.COc1cccc(C(=O)Nc2ccc(Nc3ccc(C(=O)NCCCCCO)cc3)cc2)c1.COc1cccc(C(=O)Nc2ccc(Nc3ccc(C4C=C(C(C)(C)O)N=N4)cc3)cc2)c1
InChIInChI=1S/C30H34O4.C29H33NO4.C28H28N4O3.C27H24ClNO2.C27H27F3N6O2.2C27H30N6O2.C26H28N6O.C26H26N4O3.C26H29N3O4/c1-22-17-27(29(32)13-5-3-4-6-16-31)15-14-25(22)19-23-9-7-10-24(18-23)20-30(33)26-11-8-12-28(21-26)34-2;1-21-18-24(28(32)10-5-3-4-6-17-31)14-13-23(21)19-22-11-15-26(16-12-22)30-29(33)25-8-7-9-27(20-25)34-2;1-35-26-14-8-21(9-15-26)28(34)31-24-12-10-23(11-13-24)30-25-6-4-5-22(19-25)27(33)7-2-3-17-32-18-16-29-20-32;1-18-11-22(26-16-24(28)17-29-26)10-9-21(18)13-19-5-3-6-20(12-19)14-27(30)23-7-4-8-25(15-23)31-2;1-3-35(4-2)17-23-18-36(34-33-23)24-7-5-6-22(16-24)31-20-10-12-21(13-11-20)32-26(37)19-8-14-25(15-9-19)38-27(28,29)30;1-4-32(5-2)18-24-19-33(31-30-24)25-10-7-9-23(17-25)28-21-12-14-22(15-13-21)29-27(34)20-8-6-11-26(16-20)35-3;1-4-32(5-2)18-23-19-33(31-30-23)24-10-8-9-22(17-24)28-20-13-15-21(16-14-20)29-27(34)25-11-6-7-12-26(25)35-3;1-3-31(4-2)18-24-19-32(30-29-24)25-12-8-11-23(17-25)27-21-13-15-22(16-14-21)28-26(33)20-9-6-5-7-10-20;1-26(2,32)24-16-23(29-30-24)17-7-9-19(10-8-17)27-20-11-13-21(14-12-20)28-25(31)18-5-4-6-22(15-18)33-3;1-33-24-7-5-6-20(18-24)26(32)29-23-14-12-22(13-15-23)28-21-10-8-19(9-11-21)25(31)27-16-3-2-4-17-30/h7-12,14-15,17-18,21,31H,3-6,13,16,19-20H2,1-2H3;7-9,11-16,18,20,31H,3-6,10,17,19H2,1-2H3,(H,30,33);4-6,8-16,18-20,30H,2-3,7,17H2,1H3,(H,31,34);3-12,15,17H,13-14,16H2,1-2H3;5-16,18,31H,3-4,17H2,1-2H3,(H,32,37);2*6-17,19,28H,4-5,18H2,1-3H3,(H,29,34);5-17,19,27H,3-4,18H2,1-2H3,(H,28,33);4-16,23,27,32H,1-3H3,(H,28,31);5-15,18,28,30H,2-4,16-17H2,1H3,(H,27,31)(H,29,32)
InChIKeyMFADDWXXNCOWHQ-UHFFFAOYSA-N
XLogP56.12
TPSA786.15 Ų
H-Bond Donors20
H-Bond Acceptors55
Rotatable Bonds100
Heavy Atoms341
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004612.99
LogP ≤ 556.12
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1055

Analyze 2-[3-[[4-(4-chloro-3H-pyrrol-2-yl)-2-methylphenyl]methyl]phenyl]-1-(3-methoxyphenyl)ethanone;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[4-[[4-(7-hydroxyheptanoyl)-2-methylphenyl]methyl]phenyl]-3-methoxybenzamide;7-hydroxy-1-[4-[[3-[2-(3-methoxyphenyl)-2-oxoethyl]phenyl]methyl]-3-methylphenyl]heptan-1-one;N-[4-[4-(5-hydroxypentylcarbamoyl)anilino]phenyl]-3-methoxybenzamide;N-[4-[4-[5-(2-hydroxypropan-2-yl)-3H-pyrazol-3-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide with MolForge

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Related Compounds

4-(5-chloro-1H-imidazol-2-yl)-N-(4-methoxyphenyl)-2-methylaniline;N-[2-(diethylamino)ethyl]-4-(4-methoxyanilino)benzamide;4-[4-(diethylaminomethyl)triazol-1-yl]-N-(4-methoxyphenyl)aniline;N-[4-[4-(diethylaminomethyl)triazol-1-yl]phenyl]-3-methoxyaniline;4-[4-(diethylaminomethyl)triazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]aniline;N-[3-(dimethylamino)propyl]-4-(4-methoxyanilino)benzamide;3-[1-[4-(3-methoxyanilino)phenyl]triazol-4-yl]propan-1-ol;3-[1-[4-(4-methoxyanilino)phenyl]triazol-4-yl]propan-1-ol;4-[(3-methoxyphenyl)methyl]-N-(3-methylbutyl)benzamide;4-[(4-methoxyphenyl)methyl]-N-(3-methylbutyl)benzamide;N-(3-methylbutyl)-4-[[2-(trifluoromethoxy)phenyl]methyl]benzamide;N-(3-methylbutyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide;N-(3-methylbutyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-methyl-N-(3-methylbutyl)-4-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 157144846
4-benzyl-N-[3-(diethylamino)propyl]-3-methylbenzamide;N-[4-[[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]methyl]phenyl]-3-methoxybenzamide;N-[4-[4-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide;N-[3-[3-[5-(diethylamino)pentanoyl]anilino]phenyl]-3-methoxybenzamide;N-[3-(diethylamino)propyl]-4-[3-[(3-methoxybenzoyl)amino]anilino]-3-methylbenzamide;N-[3-(diethylamino)propyl]-3-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide;N-[2-(dimethylamino)ethyl]-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;N-[3-[4-[4-(3-hydroxypropyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[4-[4-(3-hydroxypropyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide;N-(3-imidazol-1-ylpropyl)-4-[(3-methoxyphenyl)methyl]benzamide;N-(3-imidazol-1-ylpropyl)-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;3-methyl-N-(3-methylbutyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide
CID 157731073
N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[3-(diethylamino)propyl]-2-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide;N-[2-(dimethylamino)ethyl]-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide;N-(3-imidazol-1-ylpropyl)-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;3-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzenesulfonamide;3-[1-[4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]phenyl]triazol-4-yl]propan-1-ol
CID 158964162
N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide;N-(3-imidazol-1-ylpropyl)-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;3-[[3-[(E)-2-pyridin-4-ylethenyl]phenyl]methyl]benzenesulfonamide
CID 161831781

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(4-chloro-3H-pyrrol-2-yl)-2-methylphenyl]methyl]phenyl]-1-(3-methoxyphenyl)ethanone;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[4-[[4-(7-hydroxyheptanoyl)-2-methylphenyl]methyl]phenyl]-3-methoxybenzamide;7-hydroxy-1-[4-[[3-[2-(3-methoxyphenyl)-2-oxoethyl]phenyl]methyl]-3-methylphenyl]heptan-1-one;N-[4-[4-(5-hydroxypentylcarbamoyl)anilino]phenyl]-3-methoxybenzamide;N-[4-[4-[5-(2-hydroxypropan-2-yl)-3H-pyrazol-3-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide?
The IUPAC name of 2-[3-[[4-(4-chloro-3H-pyrrol-2-yl)-2-methylphenyl]methyl]phenyl]-1-(3-methoxyphenyl)ethanone;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[4-[[4-(7-hydroxyheptanoyl)-2-methylphenyl]methyl]phenyl]-3-methoxybenzamide;7-hydroxy-1-[4-[[3-[2-(3-methoxyphenyl)-2-oxoethyl]phenyl]methyl]-3-methylphenyl]heptan-1-one;N-[4-[4-(5-hydroxypentylcarbamoyl)anilino]phenyl]-3-methoxybenzamide;N-[4-[4-[5-(2-hydroxypropan-2-yl)-3H-pyrazol-3-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide (CID 159547840) is 2-[3-[[4-(4-chloro-3H-pyrrol-2-yl)-2-methylphenyl]methyl]phenyl]-1-(3-methoxyphenyl)ethanone;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[4-[[4-(7-hydroxyheptanoyl)-2-methylphenyl]methyl]phenyl]-3-methoxybenzamide;7-hydroxy-1-[4-[[3-[2-(3-methoxyphenyl)-2-oxoethyl]phenyl]methyl]-3-methylphenyl]heptan-1-one;N-[4-[4-(5-hydroxypentylcarbamoyl)anilino]phenyl]-3-methoxybenzamide;N-[4-[4-[5-(2-hydroxypropan-2-yl)-3H-pyrazol-3-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide.
What is the SMILES notation for 2-[3-[[4-(4-chloro-3H-pyrrol-2-yl)-2-methylphenyl]methyl]phenyl]-1-(3-methoxyphenyl)ethanone;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[4-[[4-(7-hydroxyheptanoyl)-2-methylphenyl]methyl]phenyl]-3-methoxybenzamide;7-hydroxy-1-[4-[[3-[2-(3-methoxyphenyl)-2-oxoethyl]phenyl]methyl]-3-methylphenyl]heptan-1-one;N-[4-[4-(5-hydroxypentylcarbamoyl)anilino]phenyl]-3-methoxybenzamide;N-[4-[4-[5-(2-hydroxypropan-2-yl)-3H-pyrazol-3-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide?
The canonical SMILES for 2-[3-[[4-(4-chloro-3H-pyrrol-2-yl)-2-methylphenyl]methyl]phenyl]-1-(3-methoxyphenyl)ethanone;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[4-[[4-(7-hydroxyheptanoyl)-2-methylphenyl]methyl]phenyl]-3-methoxybenzamide;7-hydroxy-1-[4-[[3-[2-(3-methoxyphenyl)-2-oxoethyl]phenyl]methyl]-3-methylphenyl]heptan-1-one;N-[4-[4-(5-hydroxypentylcarbamoyl)anilino]phenyl]-3-methoxybenzamide;N-[4-[4-[5-(2-hydroxypropan-2-yl)-3H-pyrazol-3-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide is CCN(CC)Cc1cn(-c2cccc(Nc3ccc(NC(=O)c4ccc(OC(F)(F)F)cc4)cc3)c2)nn1.CCN(CC)Cc1cn(-c2cccc(Nc3ccc(NC(=O)c4cccc(OC)c4)cc3)c2)nn1.CCN(CC)Cc1cn(-c2cccc(Nc3ccc(NC(=O)c4ccccc4)cc3)c2)nn1.CCN(CC)Cc1cn(-c2cccc(Nc3ccc(NC(=O)c4ccccc4OC)cc3)c2)nn1.COc1ccc(C(=O)Nc2ccc(Nc3cccc(C(=O)CCCCn4ccnc4)c3)cc2)cc1.COc1cccc(C(=O)Cc2cccc(Cc3ccc(C(=O)CCCCCCO)cc3C)c2)c1.COc1cccc(C(=O)Cc2cccc(Cc3ccc(C4=NC=C(Cl)C4)cc3C)c2)c1.COc1cccc(C(=O)Nc2ccc(Cc3ccc(C(=O)CCCCCCO)cc3C)cc2)c1.COc1cccc(C(=O)Nc2ccc(Nc3ccc(C(=O)NCCCCCO)cc3)cc2)c1.COc1cccc(C(=O)Nc2ccc(Nc3ccc(C4C=C(C(C)(C)O)N=N4)cc3)cc2)c1.
What is the InChIKey of 2-[3-[[4-(4-chloro-3H-pyrrol-2-yl)-2-methylphenyl]methyl]phenyl]-1-(3-methoxyphenyl)ethanone;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[4-[[4-(7-hydroxyheptanoyl)-2-methylphenyl]methyl]phenyl]-3-methoxybenzamide;7-hydroxy-1-[4-[[3-[2-(3-methoxyphenyl)-2-oxoethyl]phenyl]methyl]-3-methylphenyl]heptan-1-one;N-[4-[4-(5-hydroxypentylcarbamoyl)anilino]phenyl]-3-methoxybenzamide;N-[4-[4-[5-(2-hydroxypropan-2-yl)-3H-pyrazol-3-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide?
The InChIKey is MFADDWXXNCOWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34O4.C29H33NO4.C28H28N4O3.C27H24ClNO2.C27H27F3N6O2.2C27H30N6O2.C26H28N6O.C26H26N4O3.C26H29N3O4/c1-22-17-27(29(32)13-5-3-4-6-16-31)15-14-25(22)19-23-9-7-10-24(18-23)20-30(33)26-11-8-12-28(21-26)34-2;1-21-18-24(28(32)10-5-3-4-6-17-31)14-13-23(21)19-22-11-15-26(16-12-22)30-29(33)25-8-7-9-27(20-25)34-2;1-35-26-14-8-21(9-15-26)28(34)31-24-12-10-23(11-13-24)30-25-6-4-5-22(19-25)27(33)7-2-3-17-32-18-16-29-20-32;1-18-11-22(26-16-24(28)17-29-26)10-9-21(18)13-19-5-3-6-20(12-19)14-27(30)23-7-4-8-25(15-23)31-2;1-3-35(4-2)17-23-18-36(34-33-23)24-7-5-6-22(16-24)31-20-10-12-21(13-11-20)32-26(37)19-8-14-25(15-9-19)38-27(28,29)30;1-4-32(5-2)18-24-19-33(31-30-24)25-10-7-9-23(17-25)28-21-12-14-22(15-13-21)29-27(34)20-8-6-11-26(16-20)35-3;1-4-32(5-2)18-23-19-33(31-30-23)24-10-8-9-22(17-24)28-20-13-15-21(16-14-20)29-27(34)25-11-6-7-12-26(25)35-3;1-3-31(4-2)18-24-19-32(30-29-24)25-12-8-11-23(17-25)27-21-13-15-22(16-14-21)28-26(33)20-9-6-5-7-10-20;1-26(2,32)24-16-23(29-30-24)17-7-9-19(10-8-17)27-20-11-13-21(14-12-20)28-25(31)18-5-4-6-22(15-18)33-3;1-33-24-7-5-6-20(18-24)26(32)29-23-14-12-22(13-15-23)28-21-10-8-19(9-11-21)25(31)27-16-3-2-4-17-30/h7-12,14-15,17-18,21,31H,3-6,13,16,19-20H2,1-2H3;7-9,11-16,18,20,31H,3-6,10,17,19H2,1-2H3,(H,30,33);4-6,8-16,18-20,30H,2-3,7,17H2,1H3,(H,31,34);3-12,15,17H,13-14,16H2,1-2H3;5-16,18,31H,3-4,17H2,1-2H3,(H,32,37);2*6-17,19,28H,4-5,18H2,1-3H3,(H,29,34);5-17,19,27H,3-4,18H2,1-2H3,(H,28,33);4-16,23,27,32H,1-3H3,(H,28,31);5-15,18,28,30H,2-4,16-17H2,1H3,(H,27,31)(H,29,32).
What are the key properties of 2-[3-[[4-(4-chloro-3H-pyrrol-2-yl)-2-methylphenyl]methyl]phenyl]-1-(3-methoxyphenyl)ethanone;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[4-[[4-(7-hydroxyheptanoyl)-2-methylphenyl]methyl]phenyl]-3-methoxybenzamide;7-hydroxy-1-[4-[[3-[2-(3-methoxyphenyl)-2-oxoethyl]phenyl]methyl]-3-methylphenyl]heptan-1-one;N-[4-[4-(5-hydroxypentylcarbamoyl)anilino]phenyl]-3-methoxybenzamide;N-[4-[4-[5-(2-hydroxypropan-2-yl)-3H-pyrazol-3-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide?
2-[3-[[4-(4-chloro-3H-pyrrol-2-yl)-2-methylphenyl]methyl]phenyl]-1-(3-methoxyphenyl)ethanone;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[4-[[4-(7-hydroxyheptanoyl)-2-methylphenyl]methyl]phenyl]-3-methoxybenzamide;7-hydroxy-1-[4-[[3-[2-(3-methoxyphenyl)-2-oxoethyl]phenyl]methyl]-3-methylphenyl]heptan-1-one;N-[4-[4-(5-hydroxypentylcarbamoyl)anilino]phenyl]-3-methoxybenzamide;N-[4-[4-[5-(2-hydroxypropan-2-yl)-3H-pyrazol-3-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide has a molecular weight of 4612.99 g/mol, XLogP of 56.12, 100 rotatable bonds, 20 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(4-chloro-3H-pyrrol-2-yl)-2-methylphenyl]methyl]phenyl]-1-(3-methoxyphenyl)ethanone;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[4-[[4-(7-hydroxyheptanoyl)-2-methylphenyl]methyl]phenyl]-3-methoxybenzamide;7-hydroxy-1-[4-[[3-[2-(3-methoxyphenyl)-2-oxoethyl]phenyl]methyl]-3-methylphenyl]heptan-1-one;N-[4-[4-(5-hydroxypentylcarbamoyl)anilino]phenyl]-3-methoxybenzamide;N-[4-[4-[5-(2-hydroxypropan-2-yl)-3H-pyrazol-3-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 159547840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).