Basic information
- Standard SMILES
COc1cccc(CN(C(=O)CN(c2ccccc2C(N)=O)S(=O)(=O)c2ccc(C(C)(C)C)cc2)C2CC2)c1- InChIKey
AUIHQVHKSVIYID-UHFFFAOYSA-N- Molecular formula
- C30H35N3O5S
- Average molar mass
- 549.7 g/mol
Names & identifiers
- Preferred name
- 2-((4-tert-Butyl-benzenesulfonyl)-{[cyclopropyl-(3-methoxy-benzyl)-carbamoyl]-methyl}-amino)-benzamide
- IUPAC
- 2-[(4-tert-butylphenyl)sulfonyl-[2-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-2-oxoethyl]amino]benzamide
Names & synonyms
SCHEMBL1040606AUIHQVHKSVIYID-UHFFFAOYSA-N2-((4-tert-Butyl-benzenesulfonyl)-{[cyclopropyl-(3-methoxy-benzyl)-carbamoyl]-methyl}-amino)-benzamide
Database identifiers
- PubChem CID
- 58978409
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 947
Related reactions
2 records
Compound notes
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