(2S)-N-(4-acetamidophenyl)-2-cyclopentylsulfanylpropanamide

C16H22N2O2S — CID 7395629

IUPAC(2S)-N-(4-acetamidophenyl)-2-cyclopentylsulfanylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H](C)SC2CCCC2)cc1
InChIInChI=1S/C16H22N2O2S/c1-11(21-15-5-3-4-6-15)16(20)18-14-9-7-13(8-10-14)17-12(2)19/h7-11,15H,3-6H2,1-2H3,(H,17,19)(H,18,20)/t11-/m0/s1
InChIKeyZZKPPXZDCNFWAC-NSHDSACASA-N
MW306.43 g/mol
LogP3.65
Rot. Bonds5

About (2S)-N-(4-acetamidophenyl)-2-cyclopentylsulfanylpropanamide

(2S)-N-(4-acetamidophenyl)-2-cyclopentylsulfanylpropanamide (PubChem CID 7395629) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is (2S)-N-(4-acetamidophenyl)-2-cyclopentylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(4-acetamidophenyl)-2-cyclopentylsulfanylpropanamide
PubChem CID7395629
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name(2S)-N-(4-acetamidophenyl)-2-cyclopentylsulfanylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H](C)SC2CCCC2)cc1
InChIInChI=1S/C16H22N2O2S/c1-11(21-15-5-3-4-6-15)16(20)18-14-9-7-13(8-10-14)17-12(2)19/h7-11,15H,3-6H2,1-2H3,(H,17,19)(H,18,20)/t11-/m0/s1
InChIKeyZZKPPXZDCNFWAC-NSHDSACASA-N
XLogP3.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-acetylphenyl)-2-cyclopentylsulfanylpropanamide
CID 7825638
(2S)-N-(4-chlorophenyl)-2-cyclopentylsulfanylpropanamide
CID 7398220
4-[[(2R)-2-cyclopentylsulfanylpropanoyl]amino]benzamide
CID 7825696
4-[[(2S)-2-cyclopentylsulfanylpropanoyl]amino]benzamide
CID 7825695
N-[4-[(2S)-2-cyclohexylsulfanylpropanoyl]phenyl]acetamide
CID 25498898
(2S)-2-cyclopentylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 7825678
(2R)-2-cyclohexylsulfanyl-N-(9,10-dioxoanthracen-2-yl)propanamide
CID 8705633
(2S)-2-cyclopentylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7398211
N-(4-aminophenyl)-2-(3-methylcyclohexyl)sulfanylpropanamide
CID 62722965
(2R)-2-cyclopentylsulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 8763649
N-phenyl-2-piperidin-3-ylsulfanylpropanamide
CID 84754961
(2S)-2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide
CID 2423355

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetamidophenyl)-2-cyclopentylsulfanylpropanamide?
The IUPAC name of (2S)-N-(4-acetamidophenyl)-2-cyclopentylsulfanylpropanamide (CID 7395629) is (2S)-N-(4-acetamidophenyl)-2-cyclopentylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-(4-acetamidophenyl)-2-cyclopentylsulfanylpropanamide?
The canonical SMILES for (2S)-N-(4-acetamidophenyl)-2-cyclopentylsulfanylpropanamide is CC(=O)Nc1ccc(NC(=O)[C@H](C)SC2CCCC2)cc1.
What is the InChIKey of (2S)-N-(4-acetamidophenyl)-2-cyclopentylsulfanylpropanamide?
The InChIKey is ZZKPPXZDCNFWAC-NSHDSACASA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-11(21-15-5-3-4-6-15)16(20)18-14-9-7-13(8-10-14)17-12(2)19/h7-11,15H,3-6H2,1-2H3,(H,17,19)(H,18,20)/t11-/m0/s1.
What are the key properties of (2S)-N-(4-acetamidophenyl)-2-cyclopentylsulfanylpropanamide?
(2S)-N-(4-acetamidophenyl)-2-cyclopentylsulfanylpropanamide has a molecular weight of 306.43 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-acetamidophenyl)-2-cyclopentylsulfanylpropanamide is sourced from PubChem (CID 7395629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).