(2R)-N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylbutanamide

C15H15ClN2OS — CID 795640

IUPAC(2R)-N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylbutanamide
SMILESCC[C@@H](Sc1ccccn1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2OS/c1-2-13(20-14-5-3-4-10-17-14)15(19)18-12-8-6-11(16)7-9-12/h3-10,13H,2H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyCHXFMVVYBXJKOW-CYBMUJFWSA-N
MW306.82 g/mol
LogP4.24
Rot. Bonds5

About (2R)-N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylbutanamide

(2R)-N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylbutanamide (PubChem CID 795640) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is (2R)-N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylbutanamide
PubChem CID795640
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name(2R)-N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylbutanamide
SMILESCC[C@@H](Sc1ccccn1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2OS/c1-2-13(20-14-5-3-4-10-17-14)15(19)18-12-8-6-11(16)7-9-12/h3-10,13H,2H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyCHXFMVVYBXJKOW-CYBMUJFWSA-N
XLogP4.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-acetylphenyl)-2-pyridin-2-ylsulfanylbutanamide
CID 949421
ethyl 4-(2-pyridin-2-ylsulfanylbutanoylamino)benzoate
CID 2964289
N-(4-chlorophenyl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylbutanamide
CID 46305138
N-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylbutanamide
CID 23743160
2-pyridin-2-ylsulfanylbutanamide
CID 21127936
(2S)-N-(4-chlorophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanamide
CID 7345794
(2R)-2-(4-chlorophenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]butanamide
CID 28635750
2-(4-chlorophenyl)sulfanyl-N-(3,5-dichlorophenyl)butanamide
CID 43905210
N-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylbutanamide
CID 46302357
(2S)-N-(3-chlorophenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 92674766
N-(4-chlorophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide
CID 18905978
N-(4-chlorophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide
CID 23743121

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylbutanamide?
The IUPAC name of (2R)-N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylbutanamide (CID 795640) is (2R)-N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylbutanamide.
What is the SMILES notation for (2R)-N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylbutanamide?
The canonical SMILES for (2R)-N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylbutanamide is CC[C@@H](Sc1ccccn1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (2R)-N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylbutanamide?
The InChIKey is CHXFMVVYBXJKOW-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-2-13(20-14-5-3-4-10-17-14)15(19)18-12-8-6-11(16)7-9-12/h3-10,13H,2H2,1H3,(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylbutanamide?
(2R)-N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylbutanamide has a molecular weight of 306.82 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylbutanamide is sourced from PubChem (CID 795640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).