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

C14H18ClNOS — CID 7398220

IUPAC(2S)-N-(4-chlorophenyl)-2-cyclopentylsulfanylpropanamide
SMILESC[C@H](SC1CCCC1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNOS/c1-10(18-13-4-2-3-5-13)14(17)16-12-8-6-11(15)7-9-12/h6-10,13H,2-5H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyWBMGEYOEUIGYTC-JTQLQIEISA-N
MW283.82 g/mol
LogP4.34
Rot. Bonds4

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

(2S)-N-(4-chlorophenyl)-2-cyclopentylsulfanylpropanamide (PubChem CID 7398220) has the molecular formula C14H18ClNOS and a molecular weight of 283.82 g/mol. Its IUPAC name is (2S)-N-(4-chlorophenyl)-2-cyclopentylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(4-chlorophenyl)-2-cyclopentylsulfanylpropanamide
PubChem CID7398220
Molecular FormulaC14H18ClNOS
Molecular Weight283.82 g/mol
Exact Mass283.08
IUPAC Name(2S)-N-(4-chlorophenyl)-2-cyclopentylsulfanylpropanamide
SMILESC[C@H](SC1CCCC1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNOS/c1-10(18-13-4-2-3-5-13)14(17)16-12-8-6-11(15)7-9-12/h6-10,13H,2-5H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyWBMGEYOEUIGYTC-JTQLQIEISA-N
XLogP4.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(4-acetamidophenyl)-2-cyclopentylsulfanylpropanamide
CID 7395629
(2S)-N-(4-acetylphenyl)-2-cyclopentylsulfanylpropanamide
CID 7825638
4-[[(2R)-2-cyclopentylsulfanylpropanoyl]amino]benzamide
CID 7825696
4-[[(2S)-2-cyclopentylsulfanylpropanoyl]amino]benzamide
CID 7825695
(2R)-2-cyclopentylsulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 8763649
(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
N-[4-[(2S)-2-cyclohexylsulfanylpropanoyl]phenyl]acetamide
CID 25498898
N-phenyl-2-piperidin-3-ylsulfanylpropanamide
CID 84754961
N-(4-chlorophenyl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 86932275

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chlorophenyl)-2-cyclopentylsulfanylpropanamide?
The IUPAC name of (2S)-N-(4-chlorophenyl)-2-cyclopentylsulfanylpropanamide (CID 7398220) is (2S)-N-(4-chlorophenyl)-2-cyclopentylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-(4-chlorophenyl)-2-cyclopentylsulfanylpropanamide?
The canonical SMILES for (2S)-N-(4-chlorophenyl)-2-cyclopentylsulfanylpropanamide is C[C@H](SC1CCCC1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (2S)-N-(4-chlorophenyl)-2-cyclopentylsulfanylpropanamide?
The InChIKey is WBMGEYOEUIGYTC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18ClNOS/c1-10(18-13-4-2-3-5-13)14(17)16-12-8-6-11(15)7-9-12/h6-10,13H,2-5H2,1H3,(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-N-(4-chlorophenyl)-2-cyclopentylsulfanylpropanamide?
(2S)-N-(4-chlorophenyl)-2-cyclopentylsulfanylpropanamide has a molecular weight of 283.82 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-chlorophenyl)-2-cyclopentylsulfanylpropanamide is sourced from PubChem (CID 7398220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).