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

C19H18N2O3S — CID 55613609

IUPACN-(2-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C19H18N2O3S/c1-3-25(23,24)18-11-7-6-10-17(18)21-19(22)15-12-13(2)20-16-9-5-4-8-14(15)16/h4-12H,3H2,1-2H3,(H,21,22)
InChIKeyNTOSLKIBQXWDCY-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.59
Rot. Bonds4

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

N-(2-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide (PubChem CID 55613609) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-(2-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide
PubChem CID55613609
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-(2-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C19H18N2O3S/c1-3-25(23,24)18-11-7-6-10-17(18)21-19(22)15-12-13(2)20-16-9-5-4-8-14(15)16/h4-12H,3H2,1-2H3,(H,21,22)
InChIKeyNTOSLKIBQXWDCY-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-(4-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide
CID 42021503
N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide
CID 856039
N-(2-fluoro-4-methylphenyl)-2-methylquinoline-4-carboxamide
CID 17451783
N-(2-fluoro-5-methylphenyl)-2-methylquinoline-4-carboxamide
CID 17434472
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896
N-(2-amino-4-fluorophenyl)-2-methylquinoline-4-carboxamide
CID 24710172
N-(2-chloro-4-fluorophenyl)-2-methylquinoline-4-carboxamide
CID 26364307
N-(5-amino-2-fluorophenyl)-2-methylquinoline-4-carboxamide
CID 24698449
2-methyl-N-(3-sulfamoylphenyl)quinoline-4-carboxamide
CID 9413123
N-(5-ethyl-1H-pyrazol-3-yl)-2-methylquinoline-4-carboxamide
CID 115609330
2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]quinoline-4-carboxamide
CID 134004270
N-(1-amino-2-methylpropan-2-yl)-2-methylquinoline-4-carboxamide
CID 63193778

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(2-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide (CID 55613609) is N-(2-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(2-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide is CCS(=O)(=O)c1ccccc1NC(=O)c1cc(C)nc2ccccc12.
What is the InChIKey of N-(2-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide?
The InChIKey is NTOSLKIBQXWDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-3-25(23,24)18-11-7-6-10-17(18)21-19(22)15-12-13(2)20-16-9-5-4-8-14(15)16/h4-12H,3H2,1-2H3,(H,21,22).
What are the key properties of N-(2-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide?
N-(2-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-(2-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 55613609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).