3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide

C27H23N3O4S — CID 68619894

IUPAC3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide
SMILESNC(=O)c1ccc(NC(=O)c2cccc(N(Cc3ccccc3)S(=O)(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C27H23N3O4S/c28-26(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/h1-18H,19H2,(H2,28,31)(H,29,32)
InChIKeyQZIVAOCEVUZQBM-UHFFFAOYSA-N
MW485.57 g/mol
LogP4.43
Rot. Bonds8

About 3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide

3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide (PubChem CID 68619894) has the molecular formula C27H23N3O4S and a molecular weight of 485.57 g/mol. Its IUPAC name is 3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide.

Molecular Properties

Compound Name3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide
PubChem CID68619894
Molecular FormulaC27H23N3O4S
Molecular Weight485.57 g/mol
Exact Mass485.14
IUPAC Name3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide
SMILESNC(=O)c1ccc(NC(=O)c2cccc(N(Cc3ccccc3)S(=O)(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C27H23N3O4S/c28-26(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/h1-18H,19H2,(H2,28,31)(H,29,32)
InChIKeyQZIVAOCEVUZQBM-UHFFFAOYSA-N
XLogP4.43
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.57
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-[benzenesulfonyl(benzyl)amino]-N-(4-imidazol-1-ylphenyl)benzamide
CID 46182680
3-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-propan-2-ylbenzamide
CID 46182506
N-[4-[[N-(benzenesulfonyl)-3,4-dimethylanilino]methyl]phenyl]benzamide
CID 66715371
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(3,4-difluorophenyl)benzamide
CID 1297380
3-[benzyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 109064666
3-[benzenesulfonyl(benzyl)amino]-N-(1-hydroxybutan-2-yl)benzamide
CID 46182236
N-[4-[[N-(benzenesulfonyl)-3,4-dimethylanilino]methyl]phenyl]-4-chlorobenzamide
CID 66714993
3-[benzyl(phenyl)sulfamoyl]-N-methoxybenzamide
CID 33098006
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 3912814
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100502160
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-[4-(diethylamino)phenyl]benzamide
CID 2433943

Frequently Asked Questions

What is the IUPAC name of 3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide?
The IUPAC name of 3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide (CID 68619894) is 3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide.
What is the SMILES notation for 3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide?
The canonical SMILES for 3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide is NC(=O)c1ccc(NC(=O)c2cccc(N(Cc3ccccc3)S(=O)(=O)c3ccccc3)c2)cc1.
What is the InChIKey of 3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide?
The InChIKey is QZIVAOCEVUZQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O4S/c28-26(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/h1-18H,19H2,(H2,28,31)(H,29,32).
What are the key properties of 3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide?
3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide has a molecular weight of 485.57 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide is sourced from PubChem (CID 68619894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).