3-[[3-[benzenesulfonyl(benzyl)amino]benzoyl]amino]benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(1,3-thiazol-2-yl)benzamide

C77H65N9O11S4 — CID 160742050

IUPAC3-[[3-[benzenesulfonyl(benzyl)amino]benzoyl]amino]benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESNC(=O)c1ccc(NC(=O)c2cccc(N(Cc3ccccc3)S(=O)(=O)c3ccccc3)c2)cc1.NC(=O)c1cccc(NC(=O)c2cccc(N(Cc3ccccc3)S(=O)(=O)c3ccccc3)c2)c1.O=C(Nc1nccs1)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/2C27H23N3O4S.C23H19N3O3S2/c28-26(31)21-11-7-13-23(17-21)29-27(32)22-12-8-14-24(18-22)30(19-20-9-3-1-4-10-20)35(33,34)25-15-5-2-6-16-25;28-26(31)21-14-16-23(17-15-21)29-27(32)22-10-7-11-24(18-22)30(19-20-8-3-1-4-9-20)35(33,34)25-12-5-2-6-13-25;27-22(25-23-24-14-15-30-23)19-10-7-11-20(16-19)26(17-18-8-3-1-4-9-18)31(28,29)21-12-5-2-6-13-21/h2*1-18H,19H2,(H2,28,31)(H,29,32);1-16H,17H2,(H,24,25,27)
InChIKeyRVSDYGNBKAHXAO-UHFFFAOYSA-N
MW1420.69 g/mol
LogP13.66
Rot. Bonds23

About 3-[[3-[benzenesulfonyl(benzyl)amino]benzoyl]amino]benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(1,3-thiazol-2-yl)benzamide

3-[[3-[benzenesulfonyl(benzyl)amino]benzoyl]amino]benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 160742050) has the molecular formula C77H65N9O11S4 and a molecular weight of 1420.69 g/mol. Its IUPAC name is 3-[[3-[benzenesulfonyl(benzyl)amino]benzoyl]amino]benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[[3-[benzenesulfonyl(benzyl)amino]benzoyl]amino]benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID160742050
Molecular FormulaC77H65N9O11S4
Molecular Weight1420.69 g/mol
Exact Mass1419.37
IUPAC Name3-[[3-[benzenesulfonyl(benzyl)amino]benzoyl]amino]benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESNC(=O)c1ccc(NC(=O)c2cccc(N(Cc3ccccc3)S(=O)(=O)c3ccccc3)c2)cc1.NC(=O)c1cccc(NC(=O)c2cccc(N(Cc3ccccc3)S(=O)(=O)c3ccccc3)c2)c1.O=C(Nc1nccs1)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/2C27H23N3O4S.C23H19N3O3S2/c28-26(31)21-11-7-13-23(17-21)29-27(32)22-12-8-14-24(18-22)30(19-20-9-3-1-4-10-20)35(33,34)25-15-5-2-6-16-25;28-26(31)21-14-16-23(17-15-21)29-27(32)22-10-7-11-24(18-22)30(19-20-8-3-1-4-9-20)35(33,34)25-12-5-2-6-13-25;27-22(25-23-24-14-15-30-23)19-10-7-11-20(16-19)26(17-18-8-3-1-4-9-18)31(28,29)21-12-5-2-6-13-21/h2*1-18H,19H2,(H2,28,31)(H,29,32);1-16H,17H2,(H,24,25,27)
InChIKeyRVSDYGNBKAHXAO-UHFFFAOYSA-N
XLogP13.66
TPSA298.51 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds23
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001420.69
LogP ≤ 513.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

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Related Compounds

3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide
CID 68619894
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 2079702
3-[benzenesulfonyl(benzyl)amino]-N-(4-imidazol-1-ylphenyl)benzamide
CID 46182680
3-[(4-phenylbenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361308
N-[4-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 17361346
3-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-propan-2-ylbenzamide
CID 46182506
3-(dimethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 4030304
3,4-dimethyl-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 9321514
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(3,4-difluorophenyl)benzamide
CID 1297380
N-[4-[[N-(benzenesulfonyl)-3,4-dimethylanilino]methyl]phenyl]benzamide
CID 66715371
2-ethoxy-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 9321520
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 3912814

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[benzenesulfonyl(benzyl)amino]benzoyl]amino]benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-[[3-[benzenesulfonyl(benzyl)amino]benzoyl]amino]benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(1,3-thiazol-2-yl)benzamide (CID 160742050) is 3-[[3-[benzenesulfonyl(benzyl)amino]benzoyl]amino]benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-[[3-[benzenesulfonyl(benzyl)amino]benzoyl]amino]benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-[[3-[benzenesulfonyl(benzyl)amino]benzoyl]amino]benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(1,3-thiazol-2-yl)benzamide is NC(=O)c1ccc(NC(=O)c2cccc(N(Cc3ccccc3)S(=O)(=O)c3ccccc3)c2)cc1.NC(=O)c1cccc(NC(=O)c2cccc(N(Cc3ccccc3)S(=O)(=O)c3ccccc3)c2)c1.O=C(Nc1nccs1)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-[[3-[benzenesulfonyl(benzyl)amino]benzoyl]amino]benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is RVSDYGNBKAHXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H23N3O4S.C23H19N3O3S2/c28-26(31)21-11-7-13-23(17-21)29-27(32)22-12-8-14-24(18-22)30(19-20-9-3-1-4-10-20)35(33,34)25-15-5-2-6-16-25;28-26(31)21-14-16-23(17-15-21)29-27(32)22-10-7-11-24(18-22)30(19-20-8-3-1-4-9-20)35(33,34)25-12-5-2-6-13-25;27-22(25-23-24-14-15-30-23)19-10-7-11-20(16-19)26(17-18-8-3-1-4-9-18)31(28,29)21-12-5-2-6-13-21/h2*1-18H,19H2,(H2,28,31)(H,29,32);1-16H,17H2,(H,24,25,27).
What are the key properties of 3-[[3-[benzenesulfonyl(benzyl)amino]benzoyl]amino]benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(1,3-thiazol-2-yl)benzamide?
3-[[3-[benzenesulfonyl(benzyl)amino]benzoyl]amino]benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 1420.69 g/mol, XLogP of 13.66, 23 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[benzenesulfonyl(benzyl)amino]benzoyl]amino]benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 160742050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).