Basic information
- CAS
518320-22-4- Standard SMILES
CCOC(=O)c1c(C)oc2ccc(N(C(=O)c3ccccc3)S(=O)(=O)c3cc(C)ccc3C)cc12- InChIKey
DFAIAKYFNNMQJT-UHFFFAOYSA-N- Molecular formula
- C27H25NO6S
- Average molar mass
- 491.6 g/mol
- Monoisotopic mass
- 491.14025869
Names & identifiers
- Preferred name
- Ethyl 5-[benzoyl-(2,5-dimethylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
- IUPAC
- ethyl 5-[benzoyl-(2,5-dimethylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
- English name
- ethyl 5-{benzoyl[(2,5-dimethylphenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylate
- Molecular formula
- C27H25NO6S
- Molecular weight
- 491.5555
Names & synonyms
ethyl 5-{benzoyl[(2,5-dimethylphenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylateOprea1_458778Oprea1_630402AQ-390/41639027MFCD03472406AKOS001675932ethyl 5-[benzoyl-(2,5-dimethylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylateethyl 5-[N-(2,5-dimethylbenzene-1-sulfonyl)benzamido]-2-methyl-1-benzofuran-3-carboxylateETHYL 5-[N-(2,5-DIMETHYLBENZENESULFONYL)BENZAMIDO]-2-METHYL-1-BENZOFURAN-3-CARBOXYLATE
Database identifiers
- CAS
518320-22-4- PubChem CID
- 4250287
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 863
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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