Basic information
- CAS
620554-74-7- Standard SMILES
Cc1cc(C)c(OCC(=O)N(Cc2ccccc2)C2CCS(=O)(=O)C2)c(C)c1- InChIKey
UVEHCIGDMBAROE-UHFFFAOYSA-N- Molecular formula
- C22H27NO4S
- Average molar mass
- 401.5 g/mol
- Monoisotopic mass
- 401.16607952
Names & identifiers
- Preferred name
- N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-(2,4,6-trimethylphenoxy)acetamide
- IUPAC
- N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-(2,4,6-trimethylphenoxy)acetamide
- English name
- N-benzyl-N-(1,1-dioxidotetrahydro-3-thienyl)-2-(mesityloxy)acetamide
- Molecular formula
- C22H27NO4S
- Molecular weight
- 401.52
Names & synonyms
620554-74-7N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-(2,4,6-trimethylphenoxy)acetamideN-benzyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(2,4,6-trimethylphenoxy)acetamideMLS000923845CHEMBL1388850HMS2920H08HMS3430I15STK704569AKOS001686985AKOS016082449SMR000620364AF-399/42093186
Show more names
Acetamide, N-(phenylmethyl)-N-(tetrahydro-1,1-dioxido-3-thienyl)-2-(2,4,6-trimethylphenoxy)-
SR-01000114217SR-01000114217-1Z25787691N-benzyl-N-(1,1-dioxidotetrahydro-3-thienyl)-2-(mesityloxy)acetamideN-benzyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(mesityloxy)acetamide
Database identifiers
- CAS
620554-74-7- PubChem CID
- 4318356
- ChEMBL
CHEMBL1388850
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 611
Physicochemical properties
- Boiling point
- 635.4 · 635.4±55.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- -1.23 · -1.23±0.20(Predicted)
Chemistry & industry
Suppliers5 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
OTAVA-BB[email protected]
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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