N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

C21H21N3O4S — CID 55933470

IUPACN-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C21H21N3O4S/c1-14(16-10-6-7-11-19(16)24-29(2,27)28)22-20(25)17-12-13-18(23-21(17)26)15-8-4-3-5-9-15/h3-14,24H,1-2H3,(H,22,25)(H,23,26)
InChIKeyGIJVJXQJZAUZLY-UHFFFAOYSA-N
MW411.48 g/mol
LogP2.90
Rot. Bonds6

About N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (PubChem CID 55933470) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
PubChem CID55933470
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC NameN-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C21H21N3O4S/c1-14(16-10-6-7-11-19(16)24-29(2,27)28)22-20(25)17-12-13-18(23-21(17)26)15-8-4-3-5-9-15/h3-14,24H,1-2H3,(H,22,25)(H,23,26)
InChIKeyGIJVJXQJZAUZLY-UHFFFAOYSA-N
XLogP2.90
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-6-phenyl-N-[(1S)-1-pyridin-2-ylethyl]-1H-pyridine-3-carboxamide
CID 95975984
N-[1-(2-chlorophenyl)ethyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55757705
N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 97142637
N-[(1R)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 25279162
(2R)-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]-2-methylbutanamide
CID 94210718
N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide
CID 96528827
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-methoxy-4-methylbenzamide
CID 55699794
N-[(2-methylcyclopropyl)-phenylmethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 86956159
2-oxo-6-phenyl-1H-pyridine-3-carbohydrazide
CID 82521335
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-methyl-3-nitrobenzamide
CID 60556544
N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55917067
N-(2-methoxyphenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
CID 66498056

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (CID 55933470) is N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is CC(NC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1ccccc1NS(C)(=O)=O.
What is the InChIKey of N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The InChIKey is GIJVJXQJZAUZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-14(16-10-6-7-11-19(16)24-29(2,27)28)22-20(25)17-12-13-18(23-21(17)26)15-8-4-3-5-9-15/h3-14,24H,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 55933470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).