(2S)-2-benzylsulfanyl-N-[(2-oxo-1H-pyridin-4-yl)methyl]propanamide

C16H18N2O2S — CID 95300671

IUPAC(2S)-2-benzylsulfanyl-N-[(2-oxo-1H-pyridin-4-yl)methyl]propanamide
SMILESC[C@H](SCc1ccccc1)C(=O)NCc1cc[nH]c(=O)c1
InChIInChI=1S/C16H18N2O2S/c1-12(21-11-13-5-3-2-4-6-13)16(20)18-10-14-7-8-17-15(19)9-14/h2-9,12H,10-11H2,1H3,(H,17,19)(H,18,20)/t12-/m0/s1
InChIKeyLAHCAQYHXUYRLR-LBPRGKRZSA-N
MW302.40 g/mol
LogP2.31
Rot. Bonds6

About (2S)-2-benzylsulfanyl-N-[(2-oxo-1H-pyridin-4-yl)methyl]propanamide

(2S)-2-benzylsulfanyl-N-[(2-oxo-1H-pyridin-4-yl)methyl]propanamide (PubChem CID 95300671) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is (2S)-2-benzylsulfanyl-N-[(2-oxo-1H-pyridin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-benzylsulfanyl-N-[(2-oxo-1H-pyridin-4-yl)methyl]propanamide
PubChem CID95300671
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name(2S)-2-benzylsulfanyl-N-[(2-oxo-1H-pyridin-4-yl)methyl]propanamide
SMILESC[C@H](SCc1ccccc1)C(=O)NCc1cc[nH]c(=O)c1
InChIInChI=1S/C16H18N2O2S/c1-12(21-11-13-5-3-2-4-6-13)16(20)18-10-14-7-8-17-15(19)9-14/h2-9,12H,10-11H2,1H3,(H,17,19)(H,18,20)/t12-/m0/s1
InChIKeyLAHCAQYHXUYRLR-LBPRGKRZSA-N
XLogP2.31
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-benzylsulfanyl-N-[(2-oxo-1H-pyridin-4-yl)methyl]propanamide
CID 95300672
2-benzylsulfanyl-N-[[3-(difluoromethoxy)phenyl]methyl]propanamide
CID 49336481
2-benzylsulfanyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide
CID 51087014
(2S)-2-benzylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 958330
2-benzylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 2898433
2-benzylsulfanyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 132656144
(2S)-2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 676358
(2R)-2-benzylsulfanylpropanehydrazide
CID 28840047
(2R)-2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 51929540
2-benzylsulfanyl-N-(methylcarbamoyl)propanamide
CID 16527785
N-(3-amino-2-methylpropyl)-2-benzylsulfanylpropanamide
CID 119995886
2-benzylsulfanyl-N-[[6-(diethylamino)-3-pyridinyl]methyl]propanamide
CID 55849326

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzylsulfanyl-N-[(2-oxo-1H-pyridin-4-yl)methyl]propanamide?
The IUPAC name of (2S)-2-benzylsulfanyl-N-[(2-oxo-1H-pyridin-4-yl)methyl]propanamide (CID 95300671) is (2S)-2-benzylsulfanyl-N-[(2-oxo-1H-pyridin-4-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-benzylsulfanyl-N-[(2-oxo-1H-pyridin-4-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-benzylsulfanyl-N-[(2-oxo-1H-pyridin-4-yl)methyl]propanamide is C[C@H](SCc1ccccc1)C(=O)NCc1cc[nH]c(=O)c1.
What is the InChIKey of (2S)-2-benzylsulfanyl-N-[(2-oxo-1H-pyridin-4-yl)methyl]propanamide?
The InChIKey is LAHCAQYHXUYRLR-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-12(21-11-13-5-3-2-4-6-13)16(20)18-10-14-7-8-17-15(19)9-14/h2-9,12H,10-11H2,1H3,(H,17,19)(H,18,20)/t12-/m0/s1.
What are the key properties of (2S)-2-benzylsulfanyl-N-[(2-oxo-1H-pyridin-4-yl)methyl]propanamide?
(2S)-2-benzylsulfanyl-N-[(2-oxo-1H-pyridin-4-yl)methyl]propanamide has a molecular weight of 302.40 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzylsulfanyl-N-[(2-oxo-1H-pyridin-4-yl)methyl]propanamide is sourced from PubChem (CID 95300671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).