methyl 5-(N-(2,4-dimethylphenyl)-N-isobutylsulfamoyl)-2-methoxybenzoate

HCID 89875889
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Basic information

Standard SMILES
COC(=O)c1cc(S(=O)(=O)N(CC(C)C)c2ccc(C)cc2C)ccc1OC
InChIKey
VHDLHIYSLYZNQF-UHFFFAOYSA-N
Molecular formula
C21H27NO5S
Average molar mass
405.5 g/mol

Names & identifiers

Preferred name
methyl 5-(N-(2,4-dimethylphenyl)-N-isobutylsulfamoyl)-2-methoxybenzoate
IUPAC
methyl 5-[(2,4-dimethylphenyl)-(2-methylpropyl)sulfamoyl]-2-methoxybenzoate

Names & synonyms

SCHEMBL15352681VHDLHIYSLYZNQF-UHFFFAOYSA-Nmethyl 5-(N-(2,4-dimethylphenyl)-N-isobutylsulfamoyl)-2-methoxybenzoate

Database identifiers

PubChem CID
89875889

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
81.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
28

Related reactions

2 records
New reaction record

Compound notes

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