Basic information
- Standard SMILES
CCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(CC(=O)OCC)s2)cc1- InChIKey
ZJILTSCBRSQXNQ-UHFFFAOYSA-N- Molecular formula
- C22H32N4O5S2
- Average molar mass
- 496.6 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-(5-(4-Decanamidophenylsulfonamido)-1,3,4-thiadiazol-2-yl)acetate
- IUPAC
- ethyl 2-[5-[[4-(decanoylamino)phenyl]sulfonylamino]-1,3,4-thiadiazol-2-yl]acetate
Names & synonyms
CHEMBL1685042Ethyl 2-(5-(4-Decanamidophenylsulfonamido)-1,3,4-thiadiazol-2-yl)acetateSCHEMBL283324ZJILTSCBRSQXNQ-UHFFFAOYSA-NBDBM50338942
Database identifiers
- PubChem CID
- 53325008
- ChEMBL
CHEMBL1685042
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 16
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 693
Related reactions
4 records
Compound notes
Loading…