Ethyl 5-[butanoyl-(2,5-dimethylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
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Basic information
- CAS
518320-40-6- Standard SMILES
CCCC(=O)N(c1ccc2oc(C)c(C(=O)OCC)c2c1)S(=O)(=O)c1cc(C)ccc1C- InChIKey
JRNZJZZLODSOHR-UHFFFAOYSA-N- Molecular formula
- C24H27NO6S
- Average molar mass
- 457.5 g/mol
- Monoisotopic mass
- 457.15590875
Names & identifiers
- Preferred name
- Ethyl 5-[butanoyl-(2,5-dimethylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
- IUPAC
- ethyl 5-[butanoyl-(2,5-dimethylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
- English name
- ethyl 5-{butyryl[(2,5-dimethylphenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylate
- Molecular formula
- C24H27NO6S
- Molecular weight
- 457.54
Names & synonyms
ethyl 5-{butyryl[(2,5-dimethylphenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylateOprea1_625617Oprea1_799616MFCD03472424AKOS001676245ethyl 5-[butanoyl-(2,5-dimethylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylateEU-0015044AQ-390/41639045ethyl 5-[N-(2,5-dimethylbenzene-1-sulfonyl)butanamido]-2-methyl-1-benzofuran-3-carboxylateETHYL 5-[N-(2,5-DIMETHYLBENZENESULFONYL)BUTANAMIDO]-2-METHYL-1-BENZOFURAN-3-CARBOXYLATE3-Benzofurancarboxylic acid, 5-[[(2,5-dimethylphenyl)sulfonyl](1-oxobutyl)amino]-2-methyl-, ethyl ester
Database identifiers
- CAS
518320-40-6- PubChem CID
- 5243606
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 778
Physicochemical properties
- Boiling point
- 593.2 · 593.2±60.0 °C(Predicted)
- Density
- 1.257 · 1.257±0.06 g/cm3(Predicted)
- pka
- -17.92 · -17.92±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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