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

HCID 2568942

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Basic information

CAS: 794539-00-7
Standard SMILES: COc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)Cc3ccc(C)o3)cc2)cc1
InChIKey: GGJJVLDGNYOCJP-UHFFFAOYSA-N
Molecular formula: C21H22N2O5S
Average molar mass: 414.5 g/mol
Monoisotopic mass: 414.12494298

Names & identifiers

Preferred name: 4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
IUPAC: 4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide

Names & synonyms

ZINC034487564-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamideMLS002252542CHEMBL1712051DTXSID101322462HMS3057J13AKOS000962046794539-00-7SMR001314883Z31858353

Database identifiers

CAS: 794539-00-7
PubChem CID: 2568942
DTXSID: DTXSID101322462
ChEMBL: CHEMBL1712051

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 97.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 29
Formal charge: 0
Complexity: 634

Experimental & physicochemical properties

Solubility61.1 [ug/mL] (The mean of the results at pH 7.4)

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