2-cyclopentylsulfonyl-N-[(1R)-1-(3,5-dimethylphenyl)ethyl]acetamide

C17H25NO3S — CID 95338225

IUPAC2-cyclopentylsulfonyl-N-[(1R)-1-(3,5-dimethylphenyl)ethyl]acetamide
SMILESCc1cc(C)cc([C@@H](C)NC(=O)CS(=O)(=O)C2CCCC2)c1
InChIInChI=1S/C17H25NO3S/c1-12-8-13(2)10-15(9-12)14(3)18-17(19)11-22(20,21)16-6-4-5-7-16/h8-10,14,16H,4-7,11H2,1-3H3,(H,18,19)/t14-/m1/s1
InChIKeyKRKLWQCEWZKITK-CQSZACIVSA-N
MW323.46 g/mol
LogP2.84
Rot. Bonds5

About 2-cyclopentylsulfonyl-N-[(1R)-1-(3,5-dimethylphenyl)ethyl]acetamide

2-cyclopentylsulfonyl-N-[(1R)-1-(3,5-dimethylphenyl)ethyl]acetamide (PubChem CID 95338225) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is 2-cyclopentylsulfonyl-N-[(1R)-1-(3,5-dimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfonyl-N-[(1R)-1-(3,5-dimethylphenyl)ethyl]acetamide
PubChem CID95338225
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC Name2-cyclopentylsulfonyl-N-[(1R)-1-(3,5-dimethylphenyl)ethyl]acetamide
SMILESCc1cc(C)cc([C@@H](C)NC(=O)CS(=O)(=O)C2CCCC2)c1
InChIInChI=1S/C17H25NO3S/c1-12-8-13(2)10-15(9-12)14(3)18-17(19)11-22(20,21)16-6-4-5-7-16/h8-10,14,16H,4-7,11H2,1-3H3,(H,18,19)/t14-/m1/s1
InChIKeyKRKLWQCEWZKITK-CQSZACIVSA-N
XLogP2.84
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-cyclopentylsulfonylacetyl)amino]butanoic acid
CID 119224037
(2R)-2-[(2-cyclopentylsulfonylacetyl)amino]-3-methylbutanoic acid
CID 119369506
4-amino-N-[1-(3,5-dimethylphenyl)ethyl]pentanamide
CID 120562455
N-(4-amino-2-methylphenyl)-2-cyclopentylsulfonylacetamide
CID 63115519
3-[(2-cyclopentylsulfonylacetyl)amino]-2-methylpropanoic acid
CID 119237505
N-(4-amino-2-methylphenyl)-2-cyclohexylsulfonylacetamide
CID 60886370
9-amino-N-[1-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989321
N-[1-(3,5-dimethylphenyl)ethyl]cyclopentanamine
CID 81300917
4-(2-amino-2-oxoethyl)-N-[1-(3,5-dimethylphenyl)ethyl]piperidine-1-carboxamide
CID 56783182
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 125063285
2-(cyclopropylmethylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide
CID 81361527
2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 119705801

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfonyl-N-[(1R)-1-(3,5-dimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-cyclopentylsulfonyl-N-[(1R)-1-(3,5-dimethylphenyl)ethyl]acetamide (CID 95338225) is 2-cyclopentylsulfonyl-N-[(1R)-1-(3,5-dimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfonyl-N-[(1R)-1-(3,5-dimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfonyl-N-[(1R)-1-(3,5-dimethylphenyl)ethyl]acetamide is Cc1cc(C)cc([C@@H](C)NC(=O)CS(=O)(=O)C2CCCC2)c1.
What is the InChIKey of 2-cyclopentylsulfonyl-N-[(1R)-1-(3,5-dimethylphenyl)ethyl]acetamide?
The InChIKey is KRKLWQCEWZKITK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-12-8-13(2)10-15(9-12)14(3)18-17(19)11-22(20,21)16-6-4-5-7-16/h8-10,14,16H,4-7,11H2,1-3H3,(H,18,19)/t14-/m1/s1.
What are the key properties of 2-cyclopentylsulfonyl-N-[(1R)-1-(3,5-dimethylphenyl)ethyl]acetamide?
2-cyclopentylsulfonyl-N-[(1R)-1-(3,5-dimethylphenyl)ethyl]acetamide has a molecular weight of 323.46 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfonyl-N-[(1R)-1-(3,5-dimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 95338225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).