2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
Basic information
- CAS
853594-81-7- Standard SMILES
CC(=O)c1ccc(N(CC(=O)NC2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
KSHBMFNBHHFFRA-UHFFFAOYSA-N- Molecular formula
- C21H24N2O6S2
- Average molar mass
- 464.6 g/mol
- Monoisotopic mass
- 464.10757884
Names & identifiers
- Preferred name
- 2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
- IUPAC
- 2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
Names & synonyms
2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-(1,1-dioxothiolan-3-yl)acetamideMLS002245649CHEMBL1723635DTXSID001333125HMS3094J19AKOS033945502853594-81-7SMR001309293Z25687769N~2~-(4-Acetylphenyl)-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N~2~-(4-methylbenzene-1-sulfonyl)glycinamide
Database identifiers
- CAS
853594-81-7- PubChem CID
- 4846487
- DTXSID
DTXSID001333125- ChEMBL
CHEMBL1723635
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 859
Experimental & physicochemical properties
Solubility10.4 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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