2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Basic information
- CAS
853594-79-3- Standard SMILES
CC(=O)c1ccc(N(CC(=O)Nc2cc(C)on2)S(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
PVZXTUBAAOPTPI-UHFFFAOYSA-N- Molecular formula
- C21H21N3O5S
- Average molar mass
- 427.5 g/mol
- Monoisotopic mass
- 427.12019195
Names & identifiers
- Preferred name
- 2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
- IUPAC
- 2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Names & synonyms
2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamideMLS002245666CHEMBL1879899DTXSID401321932HMS3094F23AKOS033945498853594-79-3SMR001309308Z25687685N~2~-(4-Acetylphenyl)-N~2~-(4-methylbenzene-1-sulfonyl)-N-(5-methyl-1,2-oxazol-3-yl)glycinamide
Database identifiers
- CAS
853594-79-3- PubChem CID
- 4846486
- DTXSID
DTXSID401321932- ChEMBL
CHEMBL1879899
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 707
Experimental & physicochemical properties
Solubility6.2 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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