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

C16H21NO2S — CID 7825638

IUPAC(2S)-N-(4-acetylphenyl)-2-cyclopentylsulfanylpropanamide
SMILESCC(=O)c1ccc(NC(=O)[C@H](C)SC2CCCC2)cc1
InChIInChI=1S/C16H21NO2S/c1-11(18)13-7-9-14(10-8-13)17-16(19)12(2)20-15-5-3-4-6-15/h7-10,12,15H,3-6H2,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeyFIYNVJZQZSKGND-LBPRGKRZSA-N
MW291.42 g/mol
LogP3.89
Rot. Bonds5

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

(2S)-N-(4-acetylphenyl)-2-cyclopentylsulfanylpropanamide (PubChem CID 7825638) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is (2S)-N-(4-acetylphenyl)-2-cyclopentylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(4-acetylphenyl)-2-cyclopentylsulfanylpropanamide
PubChem CID7825638
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name(2S)-N-(4-acetylphenyl)-2-cyclopentylsulfanylpropanamide
SMILESCC(=O)c1ccc(NC(=O)[C@H](C)SC2CCCC2)cc1
InChIInChI=1S/C16H21NO2S/c1-11(18)13-7-9-14(10-8-13)17-16(19)12(2)20-15-5-3-4-6-15/h7-10,12,15H,3-6H2,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeyFIYNVJZQZSKGND-LBPRGKRZSA-N
XLogP3.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-acetamidophenyl)-2-cyclopentylsulfanylpropanamide
CID 7395629
4-[[(2R)-2-cyclopentylsulfanylpropanoyl]amino]benzamide
CID 7825696
4-[[(2S)-2-cyclopentylsulfanylpropanoyl]amino]benzamide
CID 7825695
(2S)-N-(4-chlorophenyl)-2-cyclopentylsulfanylpropanamide
CID 7398220
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
N-(4-acetylphenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 42981296
(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
(2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide
CID 2501504

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetylphenyl)-2-cyclopentylsulfanylpropanamide?
The IUPAC name of (2S)-N-(4-acetylphenyl)-2-cyclopentylsulfanylpropanamide (CID 7825638) is (2S)-N-(4-acetylphenyl)-2-cyclopentylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-(4-acetylphenyl)-2-cyclopentylsulfanylpropanamide?
The canonical SMILES for (2S)-N-(4-acetylphenyl)-2-cyclopentylsulfanylpropanamide is CC(=O)c1ccc(NC(=O)[C@H](C)SC2CCCC2)cc1.
What is the InChIKey of (2S)-N-(4-acetylphenyl)-2-cyclopentylsulfanylpropanamide?
The InChIKey is FIYNVJZQZSKGND-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-11(18)13-7-9-14(10-8-13)17-16(19)12(2)20-15-5-3-4-6-15/h7-10,12,15H,3-6H2,1-2H3,(H,17,19)/t12-/m0/s1.
What are the key properties of (2S)-N-(4-acetylphenyl)-2-cyclopentylsulfanylpropanamide?
(2S)-N-(4-acetylphenyl)-2-cyclopentylsulfanylpropanamide has a molecular weight of 291.42 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-acetylphenyl)-2-cyclopentylsulfanylpropanamide is sourced from PubChem (CID 7825638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).