(2R)-N-(3-methyl-2-pyridinyl)-2-phenylsulfanylpropanamide

C15H16N2OS — CID 39951954

IUPAC(2R)-N-(3-methyl-2-pyridinyl)-2-phenylsulfanylpropanamide
SMILESCc1cccnc1NC(=O)[C@@H](C)Sc1ccccc1
InChIInChI=1S/C15H16N2OS/c1-11-7-6-10-16-14(11)17-15(18)12(2)19-13-8-4-3-5-9-13/h3-10,12H,1-2H3,(H,16,17,18)/t12-/m1/s1
InChIKeyFIXWHAJNBLEAGI-GFCCVEGCSA-N
MW272.37 g/mol
LogP3.51
Rot. Bonds4

About (2R)-N-(3-methyl-2-pyridinyl)-2-phenylsulfanylpropanamide

(2R)-N-(3-methyl-2-pyridinyl)-2-phenylsulfanylpropanamide (PubChem CID 39951954) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is (2R)-N-(3-methyl-2-pyridinyl)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(3-methyl-2-pyridinyl)-2-phenylsulfanylpropanamide
PubChem CID39951954
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name(2R)-N-(3-methyl-2-pyridinyl)-2-phenylsulfanylpropanamide
SMILESCc1cccnc1NC(=O)[C@@H](C)Sc1ccccc1
InChIInChI=1S/C15H16N2OS/c1-11-7-6-10-16-14(11)17-15(18)12(2)19-13-8-4-3-5-9-13/h3-10,12H,1-2H3,(H,16,17,18)/t12-/m1/s1
InChIKeyFIXWHAJNBLEAGI-GFCCVEGCSA-N
XLogP3.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-hydroxy-N-(3-methyl-2-pyridinyl)propanamide
CID 130662699
N,N'-bis(3-methyl-2-pyridinyl)-2-phenylpropanediamide
CID 3398462
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)propanamide
CID 71669882
2-amino-N-(3-methyl-2-pyridinyl)propanamide
CID 60731979
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
2-(4-methylphenyl)sulfanyl-N-(3-methyl-2-pyridinyl)butanamide
CID 23801438
2-pyridin-4-ylsulfanyl-N-pyrimidin-2-ylpropanamide
CID 71912580
(2R)-N-(2,4-dimethylphenyl)-2-phenylsulfanylpropanamide
CID 846798
N-(2,6-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 51234191
(2S)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 28771750
N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylpropanamide
CID 23914590
N-(5-amino-2-methylphenyl)-2-phenylsulfanylpropanamide
CID 43187416

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-methyl-2-pyridinyl)-2-phenylsulfanylpropanamide?
The IUPAC name of (2R)-N-(3-methyl-2-pyridinyl)-2-phenylsulfanylpropanamide (CID 39951954) is (2R)-N-(3-methyl-2-pyridinyl)-2-phenylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-(3-methyl-2-pyridinyl)-2-phenylsulfanylpropanamide?
The canonical SMILES for (2R)-N-(3-methyl-2-pyridinyl)-2-phenylsulfanylpropanamide is Cc1cccnc1NC(=O)[C@@H](C)Sc1ccccc1.
What is the InChIKey of (2R)-N-(3-methyl-2-pyridinyl)-2-phenylsulfanylpropanamide?
The InChIKey is FIXWHAJNBLEAGI-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-11-7-6-10-16-14(11)17-15(18)12(2)19-13-8-4-3-5-9-13/h3-10,12H,1-2H3,(H,16,17,18)/t12-/m1/s1.
What are the key properties of (2R)-N-(3-methyl-2-pyridinyl)-2-phenylsulfanylpropanamide?
(2R)-N-(3-methyl-2-pyridinyl)-2-phenylsulfanylpropanamide has a molecular weight of 272.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-methyl-2-pyridinyl)-2-phenylsulfanylpropanamide is sourced from PubChem (CID 39951954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).