Basic information
- CAS
868215-30-9- Standard SMILES
CCOc1ccc(NC(=O)CN2C(=O)C(C)SC(C)C2=O)cc1- InChIKey
GJLQDHVBWSNZEY-UHFFFAOYSA-N- Molecular formula
- C16H20N2O4S
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.1143783
Names & identifiers
- Preferred name
- 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-ethoxyphenyl)acetamide
- IUPAC
- 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-ethoxyphenyl)acetamide
Names & synonyms
868215-30-92-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-ethoxyphenyl)acetamide2-(2,6-dimethyl-3,5-dioxothiomorpholino)-N-(4-ethoxyphenyl)acetamideMLS000624605CHEMBL1507319DTXSID801331935HMS2709L17AKOS024609452SMR000323547SR-01000015171SR-01000015171-1F1800-0067
Database identifiers
- CAS
868215-30-9- PubChem CID
- 4620189
- DTXSID
DTXSID801331935- ChEMBL
CHEMBL1507319
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 443
Experimental & physicochemical properties
Solubility34.8 [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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