6-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide

C24H20N2O5S — CID 4897311

IUPAC6-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)cc(=O)c2c1
InChIInChI=1S/C24H20N2O5S/c1-16-8-13-22-20(14-16)21(27)15-23(31-22)24(28)25-17-9-11-19(12-10-17)32(29,30)26(2)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,25,28)
InChIKeyJUFATFDAKIMNOH-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.18
Rot. Bonds5

About 6-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide

6-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide (PubChem CID 4897311) has the molecular formula C24H20N2O5S and a molecular weight of 448.50 g/mol. Its IUPAC name is 6-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide
PubChem CID4897311
Molecular FormulaC24H20N2O5S
Molecular Weight448.50 g/mol
Exact Mass448.11
IUPAC Name6-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)cc(=O)c2c1
InChIInChI=1S/C24H20N2O5S/c1-16-8-13-22-20(14-16)21(27)15-23(31-22)24(28)25-17-9-11-19(12-10-17)32(29,30)26(2)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,25,28)
InChIKeyJUFATFDAKIMNOH-UHFFFAOYSA-N
XLogP4.18
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide?
The IUPAC name of 6-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide (CID 4897311) is 6-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for 6-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide is Cc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)cc(=O)c2c1.
What is the InChIKey of 6-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide?
The InChIKey is JUFATFDAKIMNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5S/c1-16-8-13-22-20(14-16)21(27)15-23(31-22)24(28)25-17-9-11-19(12-10-17)32(29,30)26(2)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,25,28).
What are the key properties of 6-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide?
6-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide has a molecular weight of 448.50 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 4897311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).