(2S)-N-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide

C16H18N2OS — CID 26806694

IUPAC(2S)-N-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
SMILESCc1ccc(C)c(NC(=O)[C@H](C)Sc2ccccn2)c1
InChIInChI=1S/C16H18N2OS/c1-11-7-8-12(2)14(10-11)18-16(19)13(3)20-15-6-4-5-9-17-15/h4-10,13H,1-3H3,(H,18,19)/t13-/m0/s1
InChIKeyUXJRPBDXUWGUAB-ZDUSSCGKSA-N
MW286.40 g/mol
LogP3.82
Rot. Bonds4

About (2S)-N-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide

(2S)-N-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide (PubChem CID 26806694) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is (2S)-N-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
PubChem CID26806694
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name(2S)-N-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
SMILESCc1ccc(C)c(NC(=O)[C@H](C)Sc2ccccn2)c1
InChIInChI=1S/C16H18N2OS/c1-11-7-8-12(2)14(10-11)18-16(19)13(3)20-15-6-4-5-9-17-15/h4-10,13H,1-3H3,(H,18,19)/t13-/m0/s1
InChIKeyUXJRPBDXUWGUAB-ZDUSSCGKSA-N
XLogP3.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-pyridin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 674012
(2S)-N-(2,5-dimethylphenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 42353248
N-(2,6-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 51234191
(2S)-N-(2,5-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 8734713
2-(2-aminophenyl)sulfanyl-N-(2,5-dimethylphenyl)propanamide
CID 82095645
N-(2,5-dichlorophenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 16530287
2-pyridin-2-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51234179
(2R)-N-(2-phenylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 40550522
(2S)-N-(2,5-dimethylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 7575933
N-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylbutanamide
CID 23743160
(2R)-N-(2,5-dimethylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 7575932
N-(2-butan-2-ylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 46544190

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of (2S)-N-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide (CID 26806694) is (2S)-N-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for (2S)-N-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide is Cc1ccc(C)c(NC(=O)[C@H](C)Sc2ccccn2)c1.
What is the InChIKey of (2S)-N-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide?
The InChIKey is UXJRPBDXUWGUAB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11-7-8-12(2)14(10-11)18-16(19)13(3)20-15-6-4-5-9-17-15/h4-10,13H,1-3H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-N-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide?
(2S)-N-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide has a molecular weight of 286.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 26806694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).