2-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide

C22H26ClN3O4S — CID 2929125

IUPAC2-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C22H26ClN3O4S/c1-31(29,30)26(20-14-8-6-12-18(20)23)15-21(27)25-19-13-7-5-11-17(19)22(28)24-16-9-3-2-4-10-16/h5-8,11-14,16H,2-4,9-10,15H2,1H3,(H,24,28)(H,25,27)
InChIKeyRCVIWUINDCUTSL-UHFFFAOYSA-N
MW463.99 g/mol
LogP3.81
Rot. Bonds7

About 2-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide

2-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide (PubChem CID 2929125) has the molecular formula C22H26ClN3O4S and a molecular weight of 463.99 g/mol. Its IUPAC name is 2-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name2-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide
PubChem CID2929125
Molecular FormulaC22H26ClN3O4S
Molecular Weight463.99 g/mol
Exact Mass463.13
IUPAC Name2-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C22H26ClN3O4S/c1-31(29,30)26(20-14-8-6-12-18(20)23)15-21(27)25-19-13-7-5-11-17(19)22(28)24-16-9-3-2-4-10-16/h5-8,11-14,16H,2-4,9-10,15H2,1H3,(H,24,28)(H,25,27)
InChIKeyRCVIWUINDCUTSL-UHFFFAOYSA-N
XLogP3.81
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.99
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 1322673
N-cyclohexyl-2-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]benzamide
CID 1311166
N-cyclohexyl-2-[4-(2-fluoro-N-methylsulfonylanilino)butanoylamino]benzamide
CID 100509528
2-[[2-[N-(benzenesulfonyl)-2-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide
CID 126033321
ethyl 2-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 1120560
N-cyclohexyl-2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]benzamide
CID 2956335
2-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-N-cyclohexylbenzamide
CID 126035099
2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide
CID 126030244
2-(2-chloro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 126318860
N-cyclopentyl-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 9053688
N-cycloheptyl-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide
CID 113156955
N-butyl-2-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 21372765

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide?
The IUPAC name of 2-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide (CID 2929125) is 2-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide.
What is the SMILES notation for 2-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide?
The canonical SMILES for 2-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide is CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC1CCCCC1)c1ccccc1Cl.
What is the InChIKey of 2-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide?
The InChIKey is RCVIWUINDCUTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O4S/c1-31(29,30)26(20-14-8-6-12-18(20)23)15-21(27)25-19-13-7-5-11-17(19)22(28)24-16-9-3-2-4-10-16/h5-8,11-14,16H,2-4,9-10,15H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 2-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide?
2-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide has a molecular weight of 463.99 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide is sourced from PubChem (CID 2929125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).