2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-cyclopentylacetamide

C21H25ClN2O3S — CID 1072746

IUPAC2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-cyclopentylacetamide
SMILESCc1ccc(CN(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H25ClN2O3S/c1-16-6-8-17(9-7-16)14-24(15-21(25)23-19-4-2-3-5-19)28(26,27)20-12-10-18(22)11-13-20/h6-13,19H,2-5,14-15H2,1H3,(H,23,25)
InChIKeyMFQHPCPKCUAIGN-UHFFFAOYSA-N
MW420.96 g/mol
LogP3.90
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-cyclopentylacetamide

2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-cyclopentylacetamide (PubChem CID 1072746) has the molecular formula C21H25ClN2O3S and a molecular weight of 420.96 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-cyclopentylacetamide
PubChem CID1072746
Molecular FormulaC21H25ClN2O3S
Molecular Weight420.96 g/mol
Exact Mass420.13
IUPAC Name2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-cyclopentylacetamide
SMILESCc1ccc(CN(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H25ClN2O3S/c1-16-6-8-17(9-7-16)14-24(15-21(25)23-19-4-2-3-5-19)28(26,27)20-12-10-18(22)11-13-20/h6-13,19H,2-5,14-15H2,1H3,(H,23,25)
InChIKeyMFQHPCPKCUAIGN-UHFFFAOYSA-N
XLogP3.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.96
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126009784
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-cycloheptylacetamide
CID 1281165
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-cycloheptylacetamide
CID 126077296
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-cyclopentylacetamide
CID 5177354
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-cyclopentylacetamide
CID 126069306
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-cyclohexylacetamide
CID 2192147
N-cyclopropyl-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1331653
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-cyclopentylacetamide
CID 1315881
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-cyclopentylacetamide
CID 1208475
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1166795
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide
CID 26516511
N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide
CID 2292687

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-cyclopentylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-cyclopentylacetamide (CID 1072746) is 2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-cyclopentylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-cyclopentylacetamide is Cc1ccc(CN(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-cyclopentylacetamide?
The InChIKey is MFQHPCPKCUAIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3S/c1-16-6-8-17(9-7-16)14-24(15-21(25)23-19-4-2-3-5-19)28(26,27)20-12-10-18(22)11-13-20/h6-13,19H,2-5,14-15H2,1H3,(H,23,25).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-cyclopentylacetamide?
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-cyclopentylacetamide has a molecular weight of 420.96 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-cyclopentylacetamide is sourced from PubChem (CID 1072746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).