(2S)-2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide

C16H22N2O2S — CID 2423355

IUPAC(2S)-2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide
SMILESCC(=O)Nc1ccc(S[C@@H](C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H22N2O2S/c1-11(16(20)18-13-5-3-4-6-13)21-15-9-7-14(8-10-15)17-12(2)19/h7-11,13H,3-6H2,1-2H3,(H,17,19)(H,18,20)/t11-/m0/s1
InChIKeyAPIHQBQCUQJMKI-NSHDSACASA-N
MW306.43 g/mol
LogP3.18
Rot. Bonds5

About (2S)-2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide

(2S)-2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide (PubChem CID 2423355) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is (2S)-2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide.

Molecular Properties

Compound Name(2S)-2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide
PubChem CID2423355
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name(2S)-2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide
SMILESCC(=O)Nc1ccc(S[C@@H](C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H22N2O2S/c1-11(16(20)18-13-5-3-4-6-13)21-15-9-7-14(8-10-15)17-12(2)19/h7-11,13H,3-6H2,1-2H3,(H,17,19)(H,18,20)/t11-/m0/s1
InChIKeyAPIHQBQCUQJMKI-NSHDSACASA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-(4-hydroxyphenyl)sulfanylpropanamide
CID 47262934
2-(4-acetamidophenyl)sulfanyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide
CID 55858867
(2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide
CID 883001
2-(4-aminophenyl)sulfanyl-N-cyclopropylpropanamide
CID 19317735
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
(2R)-N-cyclohexyl-2-naphthalen-2-ylsulfanylpropanamide
CID 7402929
2-(4-acetamidophenyl)sulfanyl-N-(2-amino-1-cyclopropylethyl)propanamide
CID 119615568
N-cyclopropyl-2-[4-(hydroxymethyl)phenyl]sulfanylpropanamide
CID 113371986
N-[4-[1-[4-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide
CID 119562177
2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclopentylpropanamide
CID 79141100
4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide
CID 7999917
(2R)-2-(4-acetamidophenyl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 2093262

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide?
The IUPAC name of (2S)-2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide (CID 2423355) is (2S)-2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide.
What is the SMILES notation for (2S)-2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide?
The canonical SMILES for (2S)-2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide is CC(=O)Nc1ccc(S[C@@H](C)C(=O)NC2CCCC2)cc1.
What is the InChIKey of (2S)-2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide?
The InChIKey is APIHQBQCUQJMKI-NSHDSACASA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-11(16(20)18-13-5-3-4-6-13)21-15-9-7-14(8-10-15)17-12(2)19/h7-11,13H,3-6H2,1-2H3,(H,17,19)(H,18,20)/t11-/m0/s1.
What are the key properties of (2S)-2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide?
(2S)-2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide has a molecular weight of 306.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide is sourced from PubChem (CID 2423355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).