6-[(4-ethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide

C26H25N3O5S — CID 4100412

IUPAC6-[(4-ethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCc4ccccc4OC)c(=O)c3c2)cc1
InChIInChI=1S/C26H25N3O5S/c1-3-17-8-10-19(11-9-17)29-35(32,33)20-12-13-23-21(14-20)25(30)22(16-27-23)26(31)28-15-18-6-4-5-7-24(18)34-2/h4-14,16,29H,3,15H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyAYSLJGYONNYGMH-UHFFFAOYSA-N
MW491.57 g/mol
LogP3.83
Rot. Bonds8

About 6-[(4-ethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide

6-[(4-ethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 4100412) has the molecular formula C26H25N3O5S and a molecular weight of 491.57 g/mol. Its IUPAC name is 6-[(4-ethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-[(4-ethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID4100412
Molecular FormulaC26H25N3O5S
Molecular Weight491.57 g/mol
Exact Mass491.15
IUPAC Name6-[(4-ethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCc4ccccc4OC)c(=O)c3c2)cc1
InChIInChI=1S/C26H25N3O5S/c1-3-17-8-10-19(11-9-17)29-35(32,33)20-12-13-23-21(14-20)25(30)22(16-27-23)26(31)28-15-18-6-4-5-7-24(18)34-2/h4-14,16,29H,3,15H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyAYSLJGYONNYGMH-UHFFFAOYSA-N
XLogP3.83
TPSA117.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
CID 15993696
6-[(4-ethylphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3522692
N-(4-ethylphenyl)-4-oxo-3-(pyrrolidine-1-carbonyl)-1H-quinoline-6-sulfonamide
CID 6622035
6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 3522985
3-(azepane-1-carbonyl)-N-(4-ethylphenyl)-4-oxo-1H-quinoline-6-sulfonamide
CID 15990627
6-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-4-oxo-1H-quinoline-3-carboxamide
CID 20854286
5-methoxy-N-[(2-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205982
6-(diethylsulfamoyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 141331217
6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide
CID 15990889
N-[(2-methoxyphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 18427603
N-cyclopentyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
CID 15994896
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775955

Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-[(4-ethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide (CID 4100412) is 6-[(4-ethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-[(4-ethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-[(4-ethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide is CCc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCc4ccccc4OC)c(=O)c3c2)cc1.
What is the InChIKey of 6-[(4-ethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is AYSLJGYONNYGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5S/c1-3-17-8-10-19(11-9-17)29-35(32,33)20-12-13-23-21(14-20)25(30)22(16-27-23)26(31)28-15-18-6-4-5-7-24(18)34-2/h4-14,16,29H,3,15H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 6-[(4-ethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide?
6-[(4-ethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 491.57 g/mol, XLogP of 3.83, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 4100412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).