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

C24H21N3O3S — CID 167874087

IUPAC2-(4-methylphenyl)-N-[(2-sulfamoylphenyl)methyl]quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccccc3S(N)(=O)=O)c3ccccc3n2)cc1
InChIInChI=1S/C24H21N3O3S/c1-16-10-12-17(13-11-16)22-14-20(19-7-3-4-8-21(19)27-22)24(28)26-15-18-6-2-5-9-23(18)31(25,29)30/h2-14H,15H2,1H3,(H,26,28)(H2,25,29,30)
InChIKeyLHYQDWQAFFGWLV-UHFFFAOYSA-N
MW431.52 g/mol
LogP3.79
Rot. Bonds5

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

2-(4-methylphenyl)-N-[(2-sulfamoylphenyl)methyl]quinoline-4-carboxamide (PubChem CID 167874087) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[(2-sulfamoylphenyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[(2-sulfamoylphenyl)methyl]quinoline-4-carboxamide
PubChem CID167874087
Molecular FormulaC24H21N3O3S
Molecular Weight431.52 g/mol
Exact Mass431.13
IUPAC Name2-(4-methylphenyl)-N-[(2-sulfamoylphenyl)methyl]quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccccc3S(N)(=O)=O)c3ccccc3n2)cc1
InChIInChI=1S/C24H21N3O3S/c1-16-10-12-17(13-11-16)22-14-20(19-7-3-4-8-21(19)27-22)24(28)26-15-18-6-2-5-9-23(18)31(25,29)30/h2-14H,15H2,1H3,(H,26,28)(H2,25,29,30)
InChIKeyLHYQDWQAFFGWLV-UHFFFAOYSA-N
XLogP3.79
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1212425
N-[2,2-dimethyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 2334871
2-(4-methylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 1220288
N-(furan-2-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 856014
N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide
CID 17320376
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 3532105
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 46494617
2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]quinoline-4-carboxamide
CID 9163082
2-(4-methylphenyl)-N-(3-sulfamoylphenyl)quinoline-4-carboxamide
CID 4591569
2-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 4613486
N-[2,2-dimethyl-3-[[2-(4-phenylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 4057293
6-bromo-2-(4-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1023165

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[(2-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-N-[(2-sulfamoylphenyl)methyl]quinoline-4-carboxamide (CID 167874087) is 2-(4-methylphenyl)-N-[(2-sulfamoylphenyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[(2-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[(2-sulfamoylphenyl)methyl]quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3ccccc3S(N)(=O)=O)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[(2-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
The InChIKey is LHYQDWQAFFGWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S/c1-16-10-12-17(13-11-16)22-14-20(19-7-3-4-8-21(19)27-22)24(28)26-15-18-6-2-5-9-23(18)31(25,29)30/h2-14H,15H2,1H3,(H,26,28)(H2,25,29,30).
What are the key properties of 2-(4-methylphenyl)-N-[(2-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
2-(4-methylphenyl)-N-[(2-sulfamoylphenyl)methyl]quinoline-4-carboxamide has a molecular weight of 431.52 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[(2-sulfamoylphenyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 167874087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).