Ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]-4,5-dimethylthiophene-3-carboxylate
Completing data — refresh the page later to see the latest
Basic information
- CAS
302803-58-3- Standard SMILES
CCOC(=O)c1c(NC(=O)C(C(C)C)N2C(=O)c3ccccc3C2=O)sc(C)c1C- InChIKey
ZJVGYVYPFUIJEK-UHFFFAOYSA-N- Molecular formula
- C22H24N2O5S
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.14059304
Names & identifiers
- Preferred name
- Ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]-4,5-dimethylthiophene-3-carboxylate
- IUPAC
- ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]-4,5-dimethylthiophene-3-carboxylate
- English name
- ethyl 2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl]amino}-4,5-dimethyl-3-thiophenecarboxylate
- Molecular formula
- C22H24N2O5S
- Molecular weight
- 428.50136
Names & synonyms
ethyl 2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl]amino}-4,5-dimethyl-3-thiophenecarboxylateCBMicro_038754Oprea1_743595Oprea1_830478AKOS001488359AKOS016312685ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]-4,5-dimethylthiophene-3-carboxylateBIM-0038953.P001ST50187940AF-399/13427009SR-01000429788SR-01000429788-1
Show more names
302803-58-3ethyl 2-(2-(1,3-dioxoisoindolin-2-yl)-3-methylbutanamido)-4,5-dimethylthiophene-3-carboxylateethyl 2-[2-(1,3-dioxobenzo[c]azolin-2-yl)-3-methylbutanoylamino]-4,5-dimethylt hiophene-3-carboxylate
Database identifiers
- CAS
302803-58-3- PubChem CID
- 2789295
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 688
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…