Basic information
- CAS
721409-73-0- Standard SMILES
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NCC(=O)Nc1ccc(OC(F)(F)F)cc1- InChIKey
BIXACQXHBTUVSJ-UHFFFAOYSA-N- Molecular formula
- C20H22F3N3O5S
- Average molar mass
- 473.5 g/mol
- Monoisotopic mass
- 473.12322647
Names & identifiers
- Preferred name
- 2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]acetamide
- IUPAC
- 2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]acetamide
Names & synonyms
2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]acetamideMLS002246512CHEMBL2134017DTXSID501332827HMS3078G16AKOS034462035721409-73-0SMR001310124Z56862027N~2~-[2-Methyl-5-(morpholine-4-sulfonyl)phenyl]-N-[4-(trifluoromethoxy)phenyl]glycinamide
Database identifiers
- CAS
721409-73-0- PubChem CID
- 3530641
- DTXSID
DTXSID501332827- ChEMBL
CHEMBL2134017
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 717
Experimental & physicochemical properties
Solubility3 [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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