(2S)-N-cyclopentyl-2-(2-methoxyphenyl)sulfanylpropanamide

C15H21NO2S — CID 94214627

IUPAC(2S)-N-cyclopentyl-2-(2-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccccc1S[C@@H](C)C(=O)NC1CCCC1
InChIInChI=1S/C15H21NO2S/c1-11(15(17)16-12-7-3-4-8-12)19-14-10-6-5-9-13(14)18-2/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyAQSZAAZPFFIGGY-NSHDSACASA-N
MW279.40 g/mol
LogP3.23
Rot. Bonds5

About (2S)-N-cyclopentyl-2-(2-methoxyphenyl)sulfanylpropanamide

(2S)-N-cyclopentyl-2-(2-methoxyphenyl)sulfanylpropanamide (PubChem CID 94214627) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-(2-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-(2-methoxyphenyl)sulfanylpropanamide
PubChem CID94214627
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name(2S)-N-cyclopentyl-2-(2-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccccc1S[C@@H](C)C(=O)NC1CCCC1
InChIInChI=1S/C15H21NO2S/c1-11(15(17)16-12-7-3-4-8-12)19-14-10-6-5-9-13(14)18-2/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyAQSZAAZPFFIGGY-NSHDSACASA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclopropyl-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214634
N-cyclopentyl-2-(2-methoxyphenyl)sulfanylacetamide
CID 52772357
(2S)-N-cyclopentyl-2-(2-methoxyphenoxy)propanamide
CID 42082135
N-cyclohexyl-2-(2-methoxyphenoxy)propanamide
CID 5003306
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-phenylsulfanylpropanamide
CID 86965606
(2R)-N-cyclohexyl-2-naphthalen-2-ylsulfanylpropanamide
CID 7402929
N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide
CID 61298346
(2S)-N-(ethylcarbamoyl)-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214626
N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 9208969
(2S)-N-cyclopentyl-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7857374
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbenzoate
CID 7968747
(2R)-N-cyclohexyl-2-(2-methoxyphenoxy)butanamide
CID 9172985

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-(2-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-(2-methoxyphenyl)sulfanylpropanamide (CID 94214627) is (2S)-N-cyclopentyl-2-(2-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-(2-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-(2-methoxyphenyl)sulfanylpropanamide is COc1ccccc1S[C@@H](C)C(=O)NC1CCCC1.
What is the InChIKey of (2S)-N-cyclopentyl-2-(2-methoxyphenyl)sulfanylpropanamide?
The InChIKey is AQSZAAZPFFIGGY-NSHDSACASA-N. The full InChI is InChI=1S/C15H21NO2S/c1-11(15(17)16-12-7-3-4-8-12)19-14-10-6-5-9-13(14)18-2/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-(2-methoxyphenyl)sulfanylpropanamide?
(2S)-N-cyclopentyl-2-(2-methoxyphenyl)sulfanylpropanamide has a molecular weight of 279.40 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-(2-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 94214627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).