2-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-N-cyclohexylbenzamide

C29H33N3O4S — CID 126035099

IUPAC2-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-N-cyclohexylbenzamide
SMILESCc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C29H33N3O4S/c1-21-17-18-27(22(2)19-21)32(37(35,36)24-13-7-4-8-14-24)20-28(33)31-26-16-10-9-15-25(26)29(34)30-23-11-5-3-6-12-23/h4,7-10,13-19,23H,3,5-6,11-12,20H2,1-2H3,(H,30,34)(H,31,33)
InChIKeyPVBBLWJIPUYALH-UHFFFAOYSA-N
MW519.67 g/mol
LogP5.20
Rot. Bonds8

About 2-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-N-cyclohexylbenzamide

2-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-N-cyclohexylbenzamide (PubChem CID 126035099) has the molecular formula C29H33N3O4S and a molecular weight of 519.67 g/mol. Its IUPAC name is 2-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name2-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-N-cyclohexylbenzamide
PubChem CID126035099
Molecular FormulaC29H33N3O4S
Molecular Weight519.67 g/mol
Exact Mass519.22
IUPAC Name2-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-N-cyclohexylbenzamide
SMILESCc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C29H33N3O4S/c1-21-17-18-27(22(2)19-21)32(37(35,36)24-13-7-4-8-14-24)20-28(33)31-26-16-10-9-15-25(26)29(34)30-23-11-5-3-6-12-23/h4,7-10,13-19,23H,3,5-6,11-12,20H2,1-2H3,(H,30,34)(H,31,33)
InChIKeyPVBBLWJIPUYALH-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

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Related Compounds

N-cyclohexyl-2-[[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126032749
2-[[2-[N-(benzenesulfonyl)-2-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide
CID 126033321
2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide
CID 126030244
2-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide
CID 126035456
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 23795569
2-[[2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126126509
N-cyclohexyl-2-[[2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 51362649
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-ethylsulfanylphenyl)acetamide
CID 92646351
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-cyclopentylacetamide
CID 1098058
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 51343222
2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 1322673
N-[2-(cyclohexylcarbamoyl)phenyl]-2,4-dimethylbenzamide
CID 100720174

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-N-cyclohexylbenzamide?
The IUPAC name of 2-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-N-cyclohexylbenzamide (CID 126035099) is 2-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-N-cyclohexylbenzamide.
What is the SMILES notation for 2-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-N-cyclohexylbenzamide?
The canonical SMILES for 2-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-N-cyclohexylbenzamide is Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)c(C)c1.
What is the InChIKey of 2-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-N-cyclohexylbenzamide?
The InChIKey is PVBBLWJIPUYALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O4S/c1-21-17-18-27(22(2)19-21)32(37(35,36)24-13-7-4-8-14-24)20-28(33)31-26-16-10-9-15-25(26)29(34)30-23-11-5-3-6-12-23/h4,7-10,13-19,23H,3,5-6,11-12,20H2,1-2H3,(H,30,34)(H,31,33).
What are the key properties of 2-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-N-cyclohexylbenzamide?
2-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-N-cyclohexylbenzamide 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 2-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-N-cyclohexylbenzamide is sourced from PubChem (CID 126035099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).