5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(2-oxochromen-6-yl)benzamide

C24H20N2O6S — CID 55978421

IUPAC5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(2-oxochromen-6-yl)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc4oc(=O)ccc4c3)c2)cc1
InChIInChI=1S/C24H20N2O6S/c1-15-3-10-20(33(29,30)26-17-5-8-19(31-2)9-6-17)14-21(15)24(28)25-18-7-11-22-16(13-18)4-12-23(27)32-22/h3-14,26H,1-2H3,(H,25,28)
InChIKeyHLKGWOCUVMGKFW-UHFFFAOYSA-N
MW464.50 g/mol
LogP4.16
Rot. Bonds6

About 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(2-oxochromen-6-yl)benzamide

5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(2-oxochromen-6-yl)benzamide (PubChem CID 55978421) has the molecular formula C24H20N2O6S and a molecular weight of 464.50 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(2-oxochromen-6-yl)benzamide.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(2-oxochromen-6-yl)benzamide
PubChem CID55978421
Molecular FormulaC24H20N2O6S
Molecular Weight464.50 g/mol
Exact Mass464.10
IUPAC Name5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(2-oxochromen-6-yl)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc4oc(=O)ccc4c3)c2)cc1
InChIInChI=1S/C24H20N2O6S/c1-15-3-10-20(33(29,30)26-17-5-8-19(31-2)9-6-17)14-21(15)24(28)25-18-7-11-22-16(13-18)4-12-23(27)32-22/h3-14,26H,1-2H3,(H,25,28)
InChIKeyHLKGWOCUVMGKFW-UHFFFAOYSA-N
XLogP4.16
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide
CID 9341864
N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]acetamide
CID 18524688
N-(2,5-dimethylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 29169048
2,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide
CID 6459417
N-(5-fluoro-2-methylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55348347
5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-2-methylbenzamide
CID 2518189
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide
CID 1034649
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55868533
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55946324
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55725226
N-[3-(2-methoxyethoxy)propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55407924
4-methyl-N-(2-oxochromen-6-yl)benzenesulfonamide
CID 10425832

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(2-oxochromen-6-yl)benzamide?
The IUPAC name of 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(2-oxochromen-6-yl)benzamide (CID 55978421) is 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(2-oxochromen-6-yl)benzamide.
What is the SMILES notation for 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(2-oxochromen-6-yl)benzamide?
The canonical SMILES for 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(2-oxochromen-6-yl)benzamide is COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc4oc(=O)ccc4c3)c2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(2-oxochromen-6-yl)benzamide?
The InChIKey is HLKGWOCUVMGKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O6S/c1-15-3-10-20(33(29,30)26-17-5-8-19(31-2)9-6-17)14-21(15)24(28)25-18-7-11-22-16(13-18)4-12-23(27)32-22/h3-14,26H,1-2H3,(H,25,28).
What are the key properties of 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(2-oxochromen-6-yl)benzamide?
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(2-oxochromen-6-yl)benzamide has a molecular weight of 464.50 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(2-oxochromen-6-yl)benzamide is sourced from PubChem (CID 55978421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).