N-(4-methyl-2-oxochromen-7-yl)-3-[methyl(phenyl)sulfamoyl]benzamide

C24H20N2O5S — CID 4795541

IUPACN-(4-methyl-2-oxochromen-7-yl)-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCc1cc(=O)oc2cc(NC(=O)c3cccc(S(=O)(=O)N(C)c4ccccc4)c3)ccc12
InChIInChI=1S/C24H20N2O5S/c1-16-13-23(27)31-22-15-18(11-12-21(16)22)25-24(28)17-7-6-10-20(14-17)32(29,30)26(2)19-8-4-3-5-9-19/h3-15H,1-2H3,(H,25,28)
InChIKeyQFPUJSAHEYEHBM-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.18
Rot. Bonds5

About N-(4-methyl-2-oxochromen-7-yl)-3-[methyl(phenyl)sulfamoyl]benzamide

N-(4-methyl-2-oxochromen-7-yl)-3-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 4795541) has the molecular formula C24H20N2O5S and a molecular weight of 448.50 g/mol. Its IUPAC name is N-(4-methyl-2-oxochromen-7-yl)-3-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxochromen-7-yl)-3-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID4795541
Molecular FormulaC24H20N2O5S
Molecular Weight448.50 g/mol
Exact Mass448.11
IUPAC NameN-(4-methyl-2-oxochromen-7-yl)-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCc1cc(=O)oc2cc(NC(=O)c3cccc(S(=O)(=O)N(C)c4ccccc4)c3)ccc12
InChIInChI=1S/C24H20N2O5S/c1-16-13-23(27)31-22-15-18(11-12-21(16)22)25-24(28)17-7-6-10-20(14-17)32(29,30)26(2)19-8-4-3-5-9-19/h3-15H,1-2H3,(H,25,28)
InChIKeyQFPUJSAHEYEHBM-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxyphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 78783436
4-[(4-methyl-2-oxochromen-7-yl)carbamoyl]benzoic acid
CID 134155841
3-[methyl(phenyl)sulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 3284690
N-(3-fluoro-4-methylphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 7962924
3-(2,2-dimethylpropanoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 35186261
N-[4-(cyclopropylcarbamoyl)phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 46680640
N-dibenzofuran-2-yl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2110736
4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide
CID 2675719
N-(3-hydroxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 78783087
3-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 25436428
3-(diethylsulfamoyl)-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide
CID 26211930
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2H-benzotriazole-5-carboxamide
CID 25325336

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-3-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-3-[methyl(phenyl)sulfamoyl]benzamide (CID 4795541) is N-(4-methyl-2-oxochromen-7-yl)-3-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(4-methyl-2-oxochromen-7-yl)-3-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(4-methyl-2-oxochromen-7-yl)-3-[methyl(phenyl)sulfamoyl]benzamide is Cc1cc(=O)oc2cc(NC(=O)c3cccc(S(=O)(=O)N(C)c4ccccc4)c3)ccc12.
What is the InChIKey of N-(4-methyl-2-oxochromen-7-yl)-3-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is QFPUJSAHEYEHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5S/c1-16-13-23(27)31-22-15-18(11-12-21(16)22)25-24(28)17-7-6-10-20(14-17)32(29,30)26(2)19-8-4-3-5-9-19/h3-15H,1-2H3,(H,25,28).
What are the key properties of N-(4-methyl-2-oxochromen-7-yl)-3-[methyl(phenyl)sulfamoyl]benzamide?
N-(4-methyl-2-oxochromen-7-yl)-3-[methyl(phenyl)sulfamoyl]benzamide 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 N-(4-methyl-2-oxochromen-7-yl)-3-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 4795541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).