N-cyclohexyl-2-[[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide

C29H33N3O4S — CID 126032749

IUPACN-cyclohexyl-2-[[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)c2cccc(C)c2)cc1
InChIInChI=1S/C29H33N3O4S/c1-21-15-17-25(18-16-21)37(35,36)32(24-12-8-9-22(2)19-24)20-28(33)31-27-14-7-6-13-26(27)29(34)30-23-10-4-3-5-11-23/h6-9,12-19,23H,3-5,10-11,20H2,1-2H3,(H,30,34)(H,31,33)
InChIKeyJISPWMUILPXLPB-UHFFFAOYSA-N
MW519.67 g/mol
LogP5.20
Rot. Bonds8

About N-cyclohexyl-2-[[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide

N-cyclohexyl-2-[[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide (PubChem CID 126032749) has the molecular formula C29H33N3O4S and a molecular weight of 519.67 g/mol. Its IUPAC name is N-cyclohexyl-2-[[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
PubChem CID126032749
Molecular FormulaC29H33N3O4S
Molecular Weight519.67 g/mol
Exact Mass519.22
IUPAC NameN-cyclohexyl-2-[[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)c2cccc(C)c2)cc1
InChIInChI=1S/C29H33N3O4S/c1-21-15-17-25(18-16-21)37(35,36)32(24-12-8-9-22(2)19-24)20-28(33)31-27-14-7-6-13-26(27)29(34)30-23-10-4-3-5-11-23/h6-9,12-19,23H,3-5,10-11,20H2,1-2H3,(H,30,34)(H,31,33)
InChIKeyJISPWMUILPXLPB-UHFFFAOYSA-N
XLogP5.20
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.67
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-2-[[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-N-cyclohexylbenzamide
CID 126035099
N-cyclohexyl-2-[[2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 51362649
2-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide
CID 126035456
N-cyclohexyl-2-[[2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 43899793
2-[[2-[N-(benzenesulfonyl)-2-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide
CID 126033321
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide
CID 3966474
2-[[2-[N-(benzenesulfonyl)-3-methylanilino]acetyl]amino]-N-butylbenzamide
CID 21371714
2-[[2-[N-(benzenesulfonyl)-3-methylanilino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 126126465
N-(2-ethylsulfanylphenyl)-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 92681759
2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 1322673
N-(2-methoxyphenyl)-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126033775
2-[[2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126412634

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-2-[[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide (CID 126032749) is N-cyclohexyl-2-[[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-2-[[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-2-[[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)c2cccc(C)c2)cc1.
What is the InChIKey of N-cyclohexyl-2-[[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide?
The InChIKey is JISPWMUILPXLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O4S/c1-21-15-17-25(18-16-21)37(35,36)32(24-12-8-9-22(2)19-24)20-28(33)31-27-14-7-6-13-26(27)29(34)30-23-10-4-3-5-11-23/h6-9,12-19,23H,3-5,10-11,20H2,1-2H3,(H,30,34)(H,31,33).
What are the key properties of N-cyclohexyl-2-[[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide?
N-cyclohexyl-2-[[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide has a molecular weight of 519.67 g/mol, XLogP of 5.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 126032749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).