dibutyl (2S)-2-[(4-methylphenyl)sulfonylamino]butanedioate
Basic information
- CAS
5454-85-3- Standard SMILES
CCCCOC(=O)C[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)OCCCC- InChIKey
VDDKBRLGEMPLKQ-KRWDZBQOSA-N- Molecular formula
- C19H29NO6S
- Average molar mass
- 399.5 g/mol
- Monoisotopic mass
- 399.17155882
Names & identifiers
- Preferred name
- dibutyl (2S)-2-[(4-methylphenyl)sulfonylamino]butanedioate
- IUPAC
- dibutyl (2S)-2-[(4-methylphenyl)sulfonylamino]butanedioate
Database identifiers
- CAS
5454-85-3- PubChem CID
- 40545604
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 549
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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