Basic information
- CAS
618080-23-2- Standard SMILES
Cc1cc(OC(C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc(C)c1Cl- InChIKey
BQVBDGYITQWVPT-UHFFFAOYSA-N- Molecular formula
- C20H20ClN3O4S2
- Average molar mass
- 466 g/mol
Names & identifiers
- Preferred name
- 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
- IUPAC
- 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
- English name
- 2-(4-chloro-3,5-dimethylphenoxy)-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}propanamide
- Molecular formula
- C20H20ClN3O4S2
- Molecular weight
- 465.97
Names & synonyms
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide618080-23-2SCHEMBL15113460STK825970AKOS002194045AKOS016071277AF-399/41899843Z577840892-(4-chloro-3,5-dimethylphenoxy)-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}propanamidePropanamide, 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-[(2-thiazolylamino)sulfonyl]phenyl]-
Database identifiers
- CAS
618080-23-2
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 670
Physicochemical properties
- Density
- 1.437 · 1.437±0.06 g/cm3(Predicted)
- pka
- 7.01 · 7.01±0.10(Predicted)
Chemistry & industry
Suppliers2 total
OTAVA-BB[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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