Basic information
- Standard SMILES
CCN(Cc1ccnc2ccccc12)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1C- InChIKey
RNBCVQMJCFQBHS-UHFFFAOYSA-N- Molecular formula
- C28H29N3O4S
- Average molar mass
- 503.6 g/mol
- Monoisotopic mass
- 503.18787759
Names & identifiers
- Preferred name
- N-Ethyl-2-[(2-methoxy-phenyl)-(toluene-2-sulfonyl)-amino]-N-quinolin-4-ylmethyl-acetamide
- IUPAC
- N-ethyl-2-(2-methoxy-N-(2-methylphenyl)sulfonylanilino)-N-(quinolin-4-ylmethyl)acetamide
Names & synonyms
SCHEMBL1040826RNBCVQMJCFQBHS-UHFFFAOYSA-NN-Ethyl-2-[(2-methoxy-phenyl)-(toluene-2-sulfonyl)-amino]-N-quinolin-4-ylmethyl-acetamide
Database identifiers
- PubChem CID
- 58978347
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 816
Related reactions
2 records
Compound notes
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