Diethyl acetamido({3-[(4-methylbenzene-1-sulfonyl)amino]phenyl}methyl)propanedioate
Basic information
- CAS
5458-46-8- Standard SMILES
CCOC(=O)C(Cc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1)(NC(C)=O)C(=O)OCC- InChIKey
UZOJDOGHPUSRET-UHFFFAOYSA-N- Molecular formula
- C23H28N2O7S
- Average molar mass
- 476.5 g/mol
- Monoisotopic mass
- 476.16172241
Names & identifiers
- Preferred name
- Diethyl acetamido({3-[(4-methylbenzene-1-sulfonyl)amino]phenyl}methyl)propanedioate
- IUPAC
- diethyl 2-acetamido-2-[[3-[(4-methylphenyl)sulfonylamino]phenyl]methyl]propanedioate
- English name
- diethyl 2-acetamido-2-[[3-[(4-methylphenyl)sulfonylamino]phenyl]methyl ]propanedioate
- Molecular formula
- C23H28N2O7S
- Molecular weight
- 476.54
Names & synonyms
5458-46-8NSC23600DTXSID50281963NSC-23600Diethyl acetamido({3-[(4-methylbenzene-1-sulfonyl)amino]phenyl}methyl)propanedioateDiethyl acetamido{[3-(4-methylbenzene-1-sulfonamido)phenyl]methyl}propanedioatediethyl 2-acetamido-2-[[3-[(4-methylphenyl)sulfonylamino]phenyl]methyl ]propanedioatePropanedioic acid, 2-(acetylamino)-2-[[3-[[(4-methylphenyl)sulfonyl]amino]phenyl]methyl]-, 1,3-diethyl ester
Database identifiers
- CAS
5458-46-8- PubChem CID
- 229737
- DTXSID
DTXSID50281963
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 767
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Compound notes
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