Basic information
- Standard SMILES
CCOc1cc(C(CS(C)(=O)=O)N2C(=O)c3cccc(N)c3C2=O)ccc1OC- InChIKey
BHJUWEUNUCJYER-UHFFFAOYSA-N- Molecular formula
- C20H22N2O6S
- Average molar mass
- 418.5 g/mol
Names & identifiers
- Preferred name
- 1H-Isoindole-1,3(2H)-dione, 4-amino-2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-
- IUPAC
- 4-amino-2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]isoindole-1,3-dione
Names & synonyms
253168-83-14-Amino-2-[1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1H-isoindole-1,3(2H)-dione4-amino-2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl)isoindoline-1,3-dione1H-Isoindole-1,3(2H)-dione, 2-[1-(3-ethoxy-4-Methoxyphenyl)-2-(Methylsulfonyl)ethyl]-1H-Isoindole-1,3(2H)-dione, 4-amino-2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-4-amino-2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]isoindole-1,3-dione4-amino-2-[1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]isoindoline-1,3-dioneSCHEMBL537071CHEMBL474556BHJUWEUNUCJYER-UHFFFAOYSA-NMFCD32197151SY395602
Show more names
CS-0010083E80855F6006602-[1'-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-4-aminoisoindoline-1,3-dione2-[1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-4-aminoisoindoline-1,3-dione2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-4-aminoisoindoline-1,3-dione2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]4-aminoisoindoline-1,3-dione4-amino-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]isoindoline-1,3-dione
Database identifiers
- PubChem CID
- 9844913
- ChEMBL
CHEMBL474556
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 721
Related reactions
33 records
Compound notes
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