2-(2-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide

C24H21N3O4S — CID 2965713

IUPAC2-(2-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2n1
InChIInChI=1S/C24H21N3O4S/c1-31-23-9-5-3-7-19(23)22-14-20(18-6-2-4-8-21(18)27-22)24(28)26-15-16-10-12-17(13-11-16)32(25,29)30/h2-14H,15H2,1H3,(H,26,28)(H2,25,29,30)
InChIKeyWPLFYCSALFFZST-UHFFFAOYSA-N
MW447.52 g/mol
LogP3.49
Rot. Bonds6

About 2-(2-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide

2-(2-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide (PubChem CID 2965713) has the molecular formula C24H21N3O4S and a molecular weight of 447.52 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
PubChem CID2965713
Molecular FormulaC24H21N3O4S
Molecular Weight447.52 g/mol
Exact Mass447.13
IUPAC Name2-(2-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2n1
InChIInChI=1S/C24H21N3O4S/c1-31-23-9-5-3-7-19(23)22-14-20(18-6-2-4-8-21(18)27-22)24(28)26-15-16-10-12-17(13-11-16)32(25,29)30/h2-14H,15H2,1H3,(H,26,28)(H2,25,29,30)
InChIKeyWPLFYCSALFFZST-UHFFFAOYSA-N
XLogP3.49
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 2168182
2-phenyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1212425
2-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 4613486
2-(2-methoxyphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 4225926
2-(3-propan-2-yloxyphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1261936
2-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)quinoline-4-carboxamide
CID 1010247
N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 3269613
2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 994293
N-benzyl-2-methoxy-5-sulfamoylbenzamide
CID 827282
4-benzoyl-2,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 171979954
2-methoxy-4,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110761535
4-methoxy-2,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110763175

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide (CID 2965713) is 2-(2-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide is COc1ccccc1-c1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2n1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
The InChIKey is WPLFYCSALFFZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S/c1-31-23-9-5-3-7-19(23)22-14-20(18-6-2-4-8-21(18)27-22)24(28)26-15-16-10-12-17(13-11-16)32(25,29)30/h2-14H,15H2,1H3,(H,26,28)(H2,25,29,30).
What are the key properties of 2-(2-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
2-(2-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide has a molecular weight of 447.52 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 2965713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).