Basic information
- Standard SMILES
CCN(Cc1cccnc1)C(=O)CN(c1cccc(N(C)C)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1- InChIKey
WJSCZUBHPJPVFJ-UHFFFAOYSA-N- Molecular formula
- C28H36N4O3S
- Average molar mass
- 508.7 g/mol
Names & identifiers
- Preferred name
- 2-[(4-tert-Butyl-benzenesulfonyl)-(3-dimethylamino-phenyl)-amino]-N-ethyl-N-pyridin-3-ylmethyl-acetamide
- IUPAC
- 2-[N-(4-tert-butylphenyl)sulfonyl-3-(dimethylamino)anilino]-N-ethyl-N-(pyridin-3-ylmethyl)acetamide
Names & synonyms
SCHEMBL1038548WJSCZUBHPJPVFJ-UHFFFAOYSA-N2-[(4-tert-Butyl-benzenesulfonyl)-(3-dimethylamino-phenyl)-amino]-N-ethyl-N-pyridin-3-ylmethyl-acetamide
Database identifiers
- PubChem CID
- 58978359
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 797
Related reactions
2 records
Compound notes
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