5-ethylsulfonyl-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide

C17H20N2O4S — CID 154783171

IUPAC5-ethylsulfonyl-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCCS(=O)(=O)c1c[nH]c(=O)c(C(=O)N(C)Cc2cccc(C)c2)c1
InChIInChI=1S/C17H20N2O4S/c1-4-24(22,23)14-9-15(16(20)18-10-14)17(21)19(3)11-13-7-5-6-12(2)8-13/h5-10H,4,11H2,1-3H3,(H,18,20)
InChIKeyYKTQIXNJEACQGQ-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.75
Rot. Bonds5

About 5-ethylsulfonyl-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide

5-ethylsulfonyl-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 154783171) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 5-ethylsulfonyl-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-ethylsulfonyl-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID154783171
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name5-ethylsulfonyl-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCCS(=O)(=O)c1c[nH]c(=O)c(C(=O)N(C)Cc2cccc(C)c2)c1
InChIInChI=1S/C17H20N2O4S/c1-4-24(22,23)14-9-15(16(20)18-10-14)17(21)19(3)11-13-7-5-6-12(2)8-13/h5-10H,4,11H2,1-3H3,(H,18,20)
InChIKeyYKTQIXNJEACQGQ-UHFFFAOYSA-N
XLogP1.75
TPSA87.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 126648643
5-N-ethyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide
CID 126749858
2-fluoro-4-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 104928615
N-benzyl-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 25474038
3-bromo-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 107952081
2-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 105385956
ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 60755647
5-N-ethyl-3-N-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide
CID 126749880
2-bromo-N-methyl-N-[(3-methylphenyl)methyl]butanamide
CID 62855223
2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 82125717
N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide
CID 43457819
N-benzyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 110851115

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-ethylsulfonyl-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 154783171) is 5-ethylsulfonyl-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-ethylsulfonyl-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-ethylsulfonyl-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide is CCS(=O)(=O)c1c[nH]c(=O)c(C(=O)N(C)Cc2cccc(C)c2)c1.
What is the InChIKey of 5-ethylsulfonyl-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YKTQIXNJEACQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-4-24(22,23)14-9-15(16(20)18-10-14)17(21)19(3)11-13-7-5-6-12(2)8-13/h5-10H,4,11H2,1-3H3,(H,18,20).
What are the key properties of 5-ethylsulfonyl-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
5-ethylsulfonyl-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 154783171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).