[2-(4-methoxyphenyl)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate
Basic information
- CAS
956159-34-5- Standard SMILES
COc1ccc(C(=O)COC(=O)[C@@H](NS(=O)(=O)c2ccccc2)C(C)C)cc1- InChIKey
ZRQRPEYKQDXGOV-IBGZPJMESA-N- Molecular formula
- C20H23NO6S
- Average molar mass
- 405.5 g/mol
- Monoisotopic mass
- 405.12460863
Names & identifiers
- Preferred name
- [2-(4-methoxyphenyl)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate
- IUPAC
- [2-(4-methoxyphenyl)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate
Names & synonyms
[2-(4-methoxyphenyl)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoateMLS002252268CHEMBL1711309DTXSID301332657HMS3082B08AKOS034826706956159-34-5SMR001314615SR-01000048793SR-01000048793-1Z569569342-(4-Methoxyphenyl)-2-oxoethyl N-(benzenesulfonyl)-L-valinate
Database identifiers
- CAS
956159-34-5- PubChem CID
- 2415201
- DTXSID
DTXSID301332657- ChEMBL
CHEMBL1711309
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 613
Experimental & physicochemical properties
Solubility7.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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