Ethyl 2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonylamino]acetate
Basic information
- CAS
7478-86-6- Standard SMILES
CCOC(=O)CNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O- InChIKey
IYWKZVXOTYVKHF-UHFFFAOYSA-N- Molecular formula
- C14H16N2O6S
- Average molar mass
- 340.35 g/mol
- Monoisotopic mass
- 340.07290741
Names & identifiers
- Preferred name
- Ethyl 2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonylamino]acetate
- IUPAC
- ethyl 2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonylamino]acetate
Names & synonyms
7478-86-6STK370093ethyl N-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]sulfonyl}glycinateethyl 2-(2-(1,3-dioxoisoindolin-2-yl)ethylsulfonamido)acetateNSC401549ethyl 2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonylamino]acetateCBMicro_027982MLS000107848CHEMBL1872356DTXSID10322568HMS2471N05AKOS000608365
Show more names
NSC-401549SMR000103812BIM-0028084.P001ST50889656BRD-K53311829-001-07-6ethyl 2-({[2-(1,3-dioxobenzo[c]azolin-2-yl)ethyl]sulfonyl}amino)acetateEthyl N-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethanesulfonyl]glycinate
Database identifiers
- CAS
7478-86-6- PubChem CID
- 344572
- DTXSID
DTXSID10322568- ChEMBL
CHEMBL1872356
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 559
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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