(2S)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide

C15H16N2OS — CID 28771750

IUPAC(2S)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide
SMILESC[C@H](Sc1ccccc1)C(=O)NCc1ccccn1
InChIInChI=1S/C15H16N2OS/c1-12(19-14-8-3-2-4-9-14)15(18)17-11-13-7-5-6-10-16-13/h2-10,12H,11H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyROLAWPGGMJDOGW-LBPRGKRZSA-N
MW272.37 g/mol
LogP2.88
Rot. Bonds5

About (2S)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide

(2S)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 28771750) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is (2S)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide
PubChem CID28771750
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name(2S)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide
SMILESC[C@H](Sc1ccccc1)C(=O)NCc1ccccn1
InChIInChI=1S/C15H16N2OS/c1-12(19-14-8-3-2-4-9-14)15(18)17-11-13-7-5-6-10-16-13/h2-10,12H,11H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyROLAWPGGMJDOGW-LBPRGKRZSA-N
XLogP2.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide
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(2S)-2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 676358
2-(methylamino)-N-(pyridin-2-ylmethyl)propanamide
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(2S)-N-ethyl-2-phenylsulfanylpropanamide
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2-ethyl-N-(pyridin-2-ylmethyl)butanamide
CID 5055685
2-phenyl-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 110410528
2-phenylsulfanyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 55613812
N-(naphthalen-1-ylmethyl)-2-phenylsulfanylpropanamide
CID 133218931
N-(3-methylbutyl)-2-phenylsulfanylpropanamide
CID 4791698
N-(2-aminoethyl)-2-phenylsulfanylpropanamide
CID 119384370
2-phenylsulfanyl-N-prop-2-ynylpropanamide
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2-phenylsulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 46684646

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide (CID 28771750) is (2S)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide is C[C@H](Sc1ccccc1)C(=O)NCc1ccccn1.
What is the InChIKey of (2S)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is ROLAWPGGMJDOGW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-12(19-14-8-3-2-4-9-14)15(18)17-11-13-7-5-6-10-16-13/h2-10,12H,11H2,1H3,(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide?
(2S)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 272.37 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 28771750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).