2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-cyclopentylacetamide

C16H23ClN2O3S — CID 113152544

IUPAC2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-cyclopentylacetamide
SMILESCS(=O)(=O)N(CCc1ccc(Cl)cc1)CC(=O)NC1CCCC1
InChIInChI=1S/C16H23ClN2O3S/c1-23(21,22)19(11-10-13-6-8-14(17)9-7-13)12-16(20)18-15-4-2-3-5-15/h6-9,15H,2-5,10-12H2,1H3,(H,18,20)
InChIKeyMMGFXUCRKUDQBQ-UHFFFAOYSA-N
MW358.89 g/mol
LogP2.20
Rot. Bonds7

About 2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-cyclopentylacetamide

2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-cyclopentylacetamide (PubChem CID 113152544) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-cyclopentylacetamide
PubChem CID113152544
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC Name2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-cyclopentylacetamide
SMILESCS(=O)(=O)N(CCc1ccc(Cl)cc1)CC(=O)NC1CCCC1
InChIInChI=1S/C16H23ClN2O3S/c1-23(21,22)19(11-10-13-6-8-14(17)9-7-13)12-16(20)18-15-4-2-3-5-15/h6-9,15H,2-5,10-12H2,1H3,(H,18,20)
InChIKeyMMGFXUCRKUDQBQ-UHFFFAOYSA-N
XLogP2.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151851
N-cyclopentyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152523
N-cyclopropyl-2-[methylsulfonyl-[2-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 113152507
1-[2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-cyclopropylurea
CID 113067880
N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152518
2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
CID 113152553
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-cyclopentylacetamide
CID 1072746
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-cyclopentylacetamide
CID 5177354
N-cyclohexyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152119
N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113152545
N-cyclohexyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151240
N-cyclopentyl-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 23883978

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-cyclopentylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-cyclopentylacetamide (CID 113152544) is 2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-cyclopentylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-cyclopentylacetamide is CS(=O)(=O)N(CCc1ccc(Cl)cc1)CC(=O)NC1CCCC1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-cyclopentylacetamide?
The InChIKey is MMGFXUCRKUDQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-23(21,22)19(11-10-13-6-8-14(17)9-7-13)12-16(20)18-15-4-2-3-5-15/h6-9,15H,2-5,10-12H2,1H3,(H,18,20).
What are the key properties of 2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-cyclopentylacetamide?
2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-cyclopentylacetamide has a molecular weight of 358.89 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-cyclopentylacetamide is sourced from PubChem (CID 113152544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).