N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)benzenesulfonamide
Basic information
- CAS
5655-37-8- Standard SMILES
COc1ccc(OC)c(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2ccccc2)c1- InChIKey
OMCSWZPOHLFSMB-UHFFFAOYSA-N- Molecular formula
- C25H26N2O5S
- Average molar mass
- 466.6 g/mol
- Monoisotopic mass
- 466.15624311
Names & identifiers
- Preferred name
- N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)benzenesulfonamide
- IUPAC
- N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)benzenesulfonamide
Names & synonyms
ZINC870139STK3459155655-37-8ZINC00870139CBMicro_027100Oprea1_149087Oprea1_859756DTXSID30360588MFCD01654487AKOS000608362N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)benzenesulfonamideN-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)benzenesulfonamide
Show more names
BIM-0027031.P001ZINC000000870139COC1=CC(=C(C=C1)OC)N(CC(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=CC=C4N(2(34DIHYDRO1HISOQUINOLIN2YL)2OXOETHYL)N(25DIMETHOXYPHENYL)BENZENESULFONAMIDEN(2(34DIHYDROISOQUINOLIN2(1H)YL)2OXOETHYL)N(25DIMETHOXYPHENYL)BENZENESULFONAMIDEN-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)benzenesulfonamide
Database identifiers
- CAS
5655-37-8- PubChem CID
- 1129995
- DTXSID
DTXSID30360588
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 748
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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