[2-Oxo-2-(4-sulfamoylanilino)ethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
Basic information
- CAS
853355-51-8- Standard SMILES
CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1- InChIKey
LKKVKMDJFJIKGL-UHFFFAOYSA-N- Molecular formula
- C17H19N3O6S2
- Average molar mass
- 425.5 g/mol
- Monoisotopic mass
- 425.07152768
Names & identifiers
- Preferred name
- [2-Oxo-2-(4-sulfamoylanilino)ethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
- IUPAC
- [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
Names & synonyms
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate853355-51-8MLS002248723CHEMBL1878155DTXSID201328368HMS3082D22AKOS033502813SMR001316183AB00733644-01Z165038812-Oxo-2-(4-sulfamoylanilino)ethyl 2-acetamido-4,5-dimethylthiophene-3-carboxylate
Database identifiers
- CAS
853355-51-8- PubChem CID
- 4847809
- DTXSID
DTXSID201328368- ChEMBL
CHEMBL1878155
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 700
Experimental & physicochemical properties
Solubility8.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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