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

C16H18N2OS — CID 676358

IUPAC(2S)-2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide
SMILESC[C@H](SCc1ccccc1)C(=O)NCc1ccccn1
InChIInChI=1S/C16H18N2OS/c1-13(20-12-14-7-3-2-4-8-14)16(19)18-11-15-9-5-6-10-17-15/h2-10,13H,11-12H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyBGDWDIGSBGFSPY-ZDUSSCGKSA-N
MW286.40 g/mol
LogP3.02
Rot. Bonds6

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

(2S)-2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 676358) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is (2S)-2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide
PubChem CID676358
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name(2S)-2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide
SMILESC[C@H](SCc1ccccc1)C(=O)NCc1ccccn1
InChIInChI=1S/C16H18N2OS/c1-13(20-12-14-7-3-2-4-8-14)16(19)18-11-15-9-5-6-10-17-15/h2-10,13H,11-12H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyBGDWDIGSBGFSPY-ZDUSSCGKSA-N
XLogP3.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 28771750
(2S)-2-benzylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 958330
2-benzylsulfanyl-N-[[6-(diethylamino)-3-pyridinyl]methyl]propanamide
CID 55849326
2-(methylamino)-N-(pyridin-2-ylmethyl)propanamide
CID 62637273
2-amino-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;hydrochloride
CID 56832236
2-ethyl-N-(pyridin-2-ylmethyl)butanamide
CID 5055685
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924
2-phenyl-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 110410528
(2R)-2-benzylsulfanyl-N-(2-chloro-3-pyridinyl)propanamide
CID 9459475
2-[benzyl-(2-phenylacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 133148969
N-(3-amino-2-methylpropyl)-2-benzylsulfanylpropanamide
CID 119995886
N-(2-amino-2-ethylbutyl)-2-benzylsulfanylpropanamide;hydrochloride
CID 119640354

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide (CID 676358) is (2S)-2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide is C[C@H](SCc1ccccc1)C(=O)NCc1ccccn1.
What is the InChIKey of (2S)-2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is BGDWDIGSBGFSPY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-13(20-12-14-7-3-2-4-8-14)16(19)18-11-15-9-5-6-10-17-15/h2-10,13H,11-12H2,1H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide?
(2S)-2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 286.40 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 676358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).