2-[(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(4-methylbenzyl)acetamide
Basic information
- CAS
643002-76-0- Standard SMILES
Cc1ccc(CNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1- InChIKey
CAEMOTCCHMTESH-UHFFFAOYSA-N- Molecular formula
- C24H23FN2O5S
- Average molar mass
- 470.5 g/mol
- Monoisotopic mass
- 470.13117117
Names & identifiers
- Preferred name
- 2-[(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(4-methylbenzyl)acetamide
- IUPAC
- 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-[(4-methylphenyl)methyl]acetamide
- English name
- 2-[(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(4-methylbenzyl)acetamide
- Molecular formula
- C24H23FN2O5S
- Molecular weight
- 470.5132232
Names & synonyms
2-[(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(4-methylbenzyl)acetamideSTL254619AKOS0003885402-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-[(4-methylphenyl)methyl]acetamideAH-487/42143246N~2~-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N~2~-(4-fluorophenyl)-N-(4-methylbenzyl)glycinamide
Database identifiers
- CAS
643002-76-0- PubChem CID
- 1006651
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 744
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Compound notes
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