Basic information
- CAS
518320-41-7- Standard SMILES
CCOC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3cc(C)ccc3C)cc12- InChIKey
PJFSWFMFIVWEQS-UHFFFAOYSA-N- Molecular formula
- C22H23NO6S
- Average molar mass
- 429.5 g/mol
- Monoisotopic mass
- 429.12460863
Names & identifiers
- Preferred name
- Ethyl 5-[acetyl-(2,5-dimethylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
- IUPAC
- ethyl 5-[acetyl-(2,5-dimethylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
- English name
- ethyl 5-{acetyl[(2,5-dimethylphenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylate
- Molecular formula
- C22H23NO6S
- Molecular weight
- 429.49
Names & synonyms
ethyl 5-{acetyl[(2,5-dimethylphenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylateOprea1_140974Oprea1_347354AKOS001676246ethyl 5-[acetyl-(2,5-dimethylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylateEU-0015054AP-906/41639046SR-01000112389SR-01000112389-1ethyl 5-[acetyl(2,5-dimethylbenzene-1-sulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate3-Benzofurancarboxylic acid, 5-[acetyl[(2,5-dimethylphenyl)sulfonyl]amino]-2-methyl-, ethyl ester
Database identifiers
- CAS
518320-41-7- PubChem CID
- 992516
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 747
Physicochemical properties
- Boiling point
- 574.7 · 574.7±60.0 °C(Predicted)
- Density
- 1.298 · 1.298±0.06 g/cm3(Predicted)
- pka
- -17.9 · -17.90±0.70(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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