N-[[4-(methylsulfonylmethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide

C15H16N2O4S — CID 56798189

IUPACN-[[4-(methylsulfonylmethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCS(=O)(=O)Cc1ccc(CNC(=O)c2ccc[nH]c2=O)cc1
InChIInChI=1S/C15H16N2O4S/c1-22(20,21)10-12-6-4-11(5-7-12)9-17-15(19)13-3-2-8-16-14(13)18/h2-8H,9-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyVOPHSJHMWCOOKF-UHFFFAOYSA-N
MW320.37 g/mol
LogP0.85
Rot. Bonds5

About N-[[4-(methylsulfonylmethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide

N-[[4-(methylsulfonylmethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 56798189) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[[4-(methylsulfonylmethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(methylsulfonylmethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID56798189
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC NameN-[[4-(methylsulfonylmethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCS(=O)(=O)Cc1ccc(CNC(=O)c2ccc[nH]c2=O)cc1
InChIInChI=1S/C15H16N2O4S/c1-22(20,21)10-12-6-4-11(5-7-12)9-17-15(19)13-3-2-8-16-14(13)18/h2-8H,9-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyVOPHSJHMWCOOKF-UHFFFAOYSA-N
XLogP0.85
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylsulfonylmethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[4-(methylsulfonylmethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 56798189) is N-[[4-(methylsulfonylmethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(methylsulfonylmethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(methylsulfonylmethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide is CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc[nH]c2=O)cc1.
What is the InChIKey of N-[[4-(methylsulfonylmethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is VOPHSJHMWCOOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-22(20,21)10-12-6-4-11(5-7-12)9-17-15(19)13-3-2-8-16-14(13)18/h2-8H,9-10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[[4-(methylsulfonylmethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[[4-(methylsulfonylmethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylsulfonylmethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56798189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).