2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-cyclopentyl-N-methylacetamide

C21H25ClN2O3S — CID 46770900

IUPAC2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-cyclopentyl-N-methylacetamide
SMILESCc1ccccc1N(CC(=O)N(C)C1CCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O3S/c1-16-7-3-6-10-20(16)24(15-21(25)23(2)18-8-4-5-9-18)28(26,27)19-13-11-17(22)12-14-19/h3,6-7,10-14,18H,4-5,8-9,15H2,1-2H3
InChIKeyYDTAKQYLVOZYAH-UHFFFAOYSA-N
MW420.96 g/mol
LogP4.24
Rot. Bonds6

About 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-cyclopentyl-N-methylacetamide

2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-cyclopentyl-N-methylacetamide (PubChem CID 46770900) has the molecular formula C21H25ClN2O3S and a molecular weight of 420.96 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-cyclopentyl-N-methylacetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-cyclopentyl-N-methylacetamide
PubChem CID46770900
Molecular FormulaC21H25ClN2O3S
Molecular Weight420.96 g/mol
Exact Mass420.13
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-cyclopentyl-N-methylacetamide
SMILESCc1ccccc1N(CC(=O)N(C)C1CCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O3S/c1-16-7-3-6-10-20(16)24(15-21(25)23(2)18-8-4-5-9-18)28(26,27)19-13-11-17(22)12-14-19/h3,6-7,10-14,18H,4-5,8-9,15H2,1-2H3
InChIKeyYDTAKQYLVOZYAH-UHFFFAOYSA-N
XLogP4.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.96
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-cyclopentyl-N-methylacetamide
CID 92684263
N,N-dibenzyl-2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetamide
CID 5094263
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 38009566
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3984975
(2R)-2-[benzyl-[2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetyl]amino]-N-cyclohexylpropanamide
CID 125061462
2-(2-chloro-N-methylsulfonylanilino)-N-cyclopentyl-N-methylacetamide
CID 28575178
(2R)-2-[[2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 125060033
(2S)-2-[[2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100578833
(2R)-2-[(4-chlorophenyl)methyl-[2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-cyclohexylbutanamide
CID 100557349
2-[[2-[N-(benzenesulfonyl)-2-methylanilino]acetyl]-[(4-chlorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132632304
2-[[2-[N-(benzenesulfonyl)-2-methylanilino]acetyl]-[(4-chlorophenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132632305
(2R)-2-[[2-[N-(benzenesulfonyl)-2-methylanilino]acetyl]-[(4-chlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 100556496

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-cyclopentyl-N-methylacetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-cyclopentyl-N-methylacetamide (CID 46770900) is 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-cyclopentyl-N-methylacetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-cyclopentyl-N-methylacetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-cyclopentyl-N-methylacetamide is Cc1ccccc1N(CC(=O)N(C)C1CCCC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-cyclopentyl-N-methylacetamide?
The InChIKey is YDTAKQYLVOZYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3S/c1-16-7-3-6-10-20(16)24(15-21(25)23(2)18-8-4-5-9-18)28(26,27)19-13-11-17(22)12-14-19/h3,6-7,10-14,18H,4-5,8-9,15H2,1-2H3.
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-cyclopentyl-N-methylacetamide?
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-cyclopentyl-N-methylacetamide has a molecular weight of 420.96 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-cyclopentyl-N-methylacetamide is sourced from PubChem (CID 46770900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).