6-[(3,5-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide

C26H25N3O5S — CID 4217968

IUPAC6-[(3,5-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2c1=O
InChIInChI=1S/C26H25N3O5S/c1-16-10-17(2)12-19(11-16)29-35(32,33)20-8-9-23-21(13-20)25(30)22(15-27-23)26(31)28-14-18-6-4-5-7-24(18)34-3/h4-13,15,29H,14H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyUSPJDLLARSUAAT-UHFFFAOYSA-N
MW491.57 g/mol
LogP3.88
Rot. Bonds7

About 6-[(3,5-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide

6-[(3,5-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 4217968) has the molecular formula C26H25N3O5S and a molecular weight of 491.57 g/mol. Its IUPAC name is 6-[(3,5-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-[(3,5-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID4217968
Molecular FormulaC26H25N3O5S
Molecular Weight491.57 g/mol
Exact Mass491.15
IUPAC Name6-[(3,5-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2c1=O
InChIInChI=1S/C26H25N3O5S/c1-16-10-17(2)12-19(11-16)29-35(32,33)20-8-9-23-21(13-20)25(30)22(15-27-23)26(31)28-14-18-6-4-5-7-24(18)34-3/h4-13,15,29H,14H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyUSPJDLLARSUAAT-UHFFFAOYSA-N
XLogP3.88
TPSA117.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-[(3,5-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide (CID 4217968) is 6-[(3,5-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-[(3,5-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-[(3,5-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide is COc1ccccc1CNC(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2c1=O.
What is the InChIKey of 6-[(3,5-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is USPJDLLARSUAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5S/c1-16-10-17(2)12-19(11-16)29-35(32,33)20-8-9-23-21(13-20)25(30)22(15-27-23)26(31)28-14-18-6-4-5-7-24(18)34-3/h4-13,15,29H,14H2,1-3H3,(H,27,30)(H,28,31).
What are the key properties of 6-[(3,5-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide?
6-[(3,5-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 491.57 g/mol, XLogP of 3.88, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 4217968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).