Basic information
- Standard SMILES
Cc1cccc(CN(C(=O)CN(c2ccccc2C(N)=O)S(=O)(=O)c2ccc(C(C)(C)C)cc2)C2CC2)c1- InChIKey
NSRGQTRVDNQVKU-UHFFFAOYSA-N- Molecular formula
- C30H35N3O4S
- Average molar mass
- 533.7 g/mol
- Monoisotopic mass
- 533.23482778
Names & identifiers
- Preferred name
- 2-((4-tert-Butyl-benzenesulfonyl)-{[cyclopropyl-(3-methyl-benzyl)-carbamoyl]-methyl}-amino)-benzamide
- IUPAC
- 2-[(4-tert-butylphenyl)sulfonyl-[2-[cyclopropyl-[(3-methylphenyl)methyl]amino]-2-oxoethyl]amino]benzamide
Names & synonyms
SCHEMBL1039701NSRGQTRVDNQVKU-UHFFFAOYSA-N2-((4-tert-Butyl-benzenesulfonyl)-{[cyclopropyl-(3-methyl-benzyl)-carbamoyl]-methyl}-amino)-benzamide
Database identifiers
- PubChem CID
- 58978355
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 928
Related reactions
2 records
Compound notes
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