N-(4-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide

C19H18N2O3S — CID 42021503

IUPACN-(4-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)c2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C19H18N2O3S/c1-3-25(23,24)15-10-8-14(9-11-15)21-19(22)17-12-13(2)20-18-7-5-4-6-16(17)18/h4-12H,3H2,1-2H3,(H,21,22)
InChIKeyWVHNIFNKPBMREH-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.59
Rot. Bonds4

About N-(4-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide

N-(4-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide (PubChem CID 42021503) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-(4-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide
PubChem CID42021503
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-(4-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)c2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C19H18N2O3S/c1-3-25(23,24)15-10-8-14(9-11-15)21-19(22)17-12-13(2)20-18-7-5-4-6-16(17)18/h4-12H,3H2,1-2H3,(H,21,22)
InChIKeyWVHNIFNKPBMREH-UHFFFAOYSA-N
XLogP3.59
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide
CID 55613609
2-methyl-N-(3-sulfamoylphenyl)quinoline-4-carboxamide
CID 9413123
methyl 2-[4-[(2-methylquinoline-4-carbonyl)amino]phenoxy]acetate
CID 55708999
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylquinoline-4-carboxamide
CID 60557428
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4622213
N-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide;methane
CID 158402633
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512011
N-[4-(acetylsulfamoyl)phenyl]-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 1358755
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
methane;N-[4-(methylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide
CID 160607746
2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 1292635
1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide
CID 4549702

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(4-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide (CID 42021503) is N-(4-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(4-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide is CCS(=O)(=O)c1ccc(NC(=O)c2cc(C)nc3ccccc23)cc1.
What is the InChIKey of N-(4-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide?
The InChIKey is WVHNIFNKPBMREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-3-25(23,24)15-10-8-14(9-11-15)21-19(22)17-12-13(2)20-18-7-5-4-6-16(17)18/h4-12H,3H2,1-2H3,(H,21,22).
What are the key properties of N-(4-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide?
N-(4-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 42021503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).