Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)Nc2ccc(Oc3cccc(NC(=O)c4cccc(C5(C#N)CC5)c4)c3)cn2)cc1- InChIKey
HGHHCETZAHDROW-UHFFFAOYSA-N- Molecular formula
- C29H24N4O4S
- Average molar mass
- 524.6 g/mol
Names & identifiers
- Preferred name
- 3-(1-cyanocyclopropyl)-N-{3-[(6-{[(4-methylphenyl)sulfonyl]amino}pyridin-3-yl)oxy]phenyl}benzamide
- IUPAC
- 3-(1-cyanocyclopropyl)-N-[3-[[6-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]oxy]phenyl]benzamide
Names & synonyms
SCHEMBL2853954HGHHCETZAHDROW-UHFFFAOYSA-N3-(1-cyanocyclopropyl)-N-{3-[(6-{[(4-methylphenyl)sulfonyl]amino}pyridin-3-yl)oxy]phenyl}benzamide
Database identifiers
- PubChem CID
- 68417875
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 976
Related reactions
5 records
Compound notes
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