2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
Basic information
- CAS
853594-73-7- Standard SMILES
COc1ccc(CNC(=O)CN(c2ccc(C(C)=O)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC- InChIKey
MOGQTNAEMRZJRH-UHFFFAOYSA-N- Molecular formula
- C26H28N2O6S
- Average molar mass
- 496.6 g/mol
- Monoisotopic mass
- 496.16680779
Names & identifiers
- Preferred name
- 2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
- IUPAC
- 2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
Names & synonyms
2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamideMLS002245693CHEMBL1717873DTXSID801322382HMS3094J03AKOS033945478853594-73-7SMR001309335Z25687552N~2~-(4-Acetylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N~2~-(4-methylbenzene-1-sulfonyl)glycinamide
Database identifiers
- CAS
853594-73-7- PubChem CID
- 4846485
- DTXSID
DTXSID801322382- ChEMBL
CHEMBL1717873
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 797
Experimental & physicochemical properties
Solubility4.1 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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