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

C24H20N2O5S — CID 19119139

IUPAC8-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide
SMILESCc1cccc2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)oc12
InChIInChI=1S/C24H20N2O5S/c1-16-7-6-10-20-21(27)15-22(31-23(16)20)24(28)25-17-11-13-19(14-12-17)32(29,30)26(2)18-8-4-3-5-9-18/h3-15H,1-2H3,(H,25,28)
InChIKeyQTCWRHFKHYXIGN-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.18
Rot. Bonds5

About 8-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide

8-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide (PubChem CID 19119139) has the molecular formula C24H20N2O5S and a molecular weight of 448.50 g/mol. Its IUPAC name is 8-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name8-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide
PubChem CID19119139
Molecular FormulaC24H20N2O5S
Molecular Weight448.50 g/mol
Exact Mass448.11
IUPAC Name8-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide
SMILESCc1cccc2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)oc12
InChIInChI=1S/C24H20N2O5S/c1-16-7-6-10-20-21(27)15-22(31-23(16)20)24(28)25-17-11-13-19(14-12-17)32(29,30)26(2)18-8-4-3-5-9-18/h3-15H,1-2H3,(H,25,28)
InChIKeyQTCWRHFKHYXIGN-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

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Related Compounds

N-(4-bromophenyl)-8-methyl-4-oxochromene-2-carboxamide
CID 19118994
8-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-oxochromene-2-carboxamide
CID 19119100
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-8-methyl-4-oxochromene-2-carboxamide
CID 19119089
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-8-methyl-4-oxochromene-2-carboxamide
CID 19119129
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
N-dibenzofuran-2-yl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2110736
N-[4-[methyl(phenyl)sulfamoyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 17011046
N-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2597397
8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
CID 19119114
N-(4-iodophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2710071
N-(4-methyl-2-oxochromen-7-yl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 4795541
N-(3-chloro-2-methylphenyl)-8-methyl-4-oxochromene-2-carboxamide
CID 19119023

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide?
The IUPAC name of 8-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide (CID 19119139) is 8-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for 8-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for 8-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide is Cc1cccc2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)oc12.
What is the InChIKey of 8-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide?
The InChIKey is QTCWRHFKHYXIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5S/c1-16-7-6-10-20-21(27)15-22(31-23(16)20)24(28)25-17-11-13-19(14-12-17)32(29,30)26(2)18-8-4-3-5-9-18/h3-15H,1-2H3,(H,25,28).
What are the key properties of 8-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide?
8-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 8-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 19119139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).