3-methylsulfanyl-N-[4-(2-oxo-1-pyridinyl)phenyl]propanamide

C15H16N2O2S — CID 70346946

IUPAC3-methylsulfanyl-N-[4-(2-oxo-1-pyridinyl)phenyl]propanamide
SMILESCSCCC(=O)Nc1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C15H16N2O2S/c1-20-11-9-14(18)16-12-5-7-13(8-6-12)17-10-3-2-4-15(17)19/h2-8,10H,9,11H2,1H3,(H,16,18)
InChIKeyDNRJIKCUPRCJSG-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.53
Rot. Bonds5

About 3-methylsulfanyl-N-[4-(2-oxo-1-pyridinyl)phenyl]propanamide

3-methylsulfanyl-N-[4-(2-oxo-1-pyridinyl)phenyl]propanamide (PubChem CID 70346946) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-methylsulfanyl-N-[4-(2-oxo-1-pyridinyl)phenyl]propanamide.

Molecular Properties

Compound Name3-methylsulfanyl-N-[4-(2-oxo-1-pyridinyl)phenyl]propanamide
PubChem CID70346946
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name3-methylsulfanyl-N-[4-(2-oxo-1-pyridinyl)phenyl]propanamide
SMILESCSCCC(=O)Nc1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C15H16N2O2S/c1-20-11-9-14(18)16-12-5-7-13(8-6-12)17-10-3-2-4-15(17)19/h2-8,10H,9,11H2,1H3,(H,16,18)
InChIKeyDNRJIKCUPRCJSG-UHFFFAOYSA-N
XLogP2.53
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2,2-dimethyl-N-[4-(3-methylsulfanylpropanoylamino)phenyl]propanamide
CID 24647281
N-(4-acetamidophenyl)-3-(2-oxo-1-pyridinyl)propanamide
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5-methylsulfanyl-N-phenylpentanamide
CID 57105237
1-(3-chloropropyl)-3-[4-(2-oxo-1-pyridinyl)phenyl]urea
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1-[4-(oxidoamino)phenyl]pyridin-2-one
CID 142825420
N-[4-(2-hydroxy-3-phenoxypropoxy)phenyl]-3-methylsulfanylpropanamide
CID 10498811
N-[4-(4-bromophenoxy)phenyl]-3-methylsulfanylpropanamide
CID 9342917
methyl N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]phenyl]carbamate
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3-amino-N-[4-(2-oxo-1-pyridinyl)phenyl]oxane-3-carboxamide
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4-amino-N-[4-(2-oxo-1-pyridinyl)phenyl]oxolane-3-carboxamide
CID 69439141

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-[4-(2-oxo-1-pyridinyl)phenyl]propanamide?
The IUPAC name of 3-methylsulfanyl-N-[4-(2-oxo-1-pyridinyl)phenyl]propanamide (CID 70346946) is 3-methylsulfanyl-N-[4-(2-oxo-1-pyridinyl)phenyl]propanamide.
What is the SMILES notation for 3-methylsulfanyl-N-[4-(2-oxo-1-pyridinyl)phenyl]propanamide?
The canonical SMILES for 3-methylsulfanyl-N-[4-(2-oxo-1-pyridinyl)phenyl]propanamide is CSCCC(=O)Nc1ccc(-n2ccccc2=O)cc1.
What is the InChIKey of 3-methylsulfanyl-N-[4-(2-oxo-1-pyridinyl)phenyl]propanamide?
The InChIKey is DNRJIKCUPRCJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-20-11-9-14(18)16-12-5-7-13(8-6-12)17-10-3-2-4-15(17)19/h2-8,10H,9,11H2,1H3,(H,16,18).
What are the key properties of 3-methylsulfanyl-N-[4-(2-oxo-1-pyridinyl)phenyl]propanamide?
3-methylsulfanyl-N-[4-(2-oxo-1-pyridinyl)phenyl]propanamide has a molecular weight of 288.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-[4-(2-oxo-1-pyridinyl)phenyl]propanamide is sourced from PubChem (CID 70346946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).