Basic information
- Standard SMILES
CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(C(=O)Cn2cnc3ccccc32)c1- InChIKey
NYEJISGUXQXOAU-UHFFFAOYSA-N- Molecular formula
- C28H31N3O5S2
- Average molar mass
- 553.7 g/mol
Names & identifiers
- Preferred name
- N-Butyloxycarbonyl-3-[3-(2-benzoimidazol-1-ylacetyl)phenyl]-5-iso-butyl-thiophene-2-sulfonamide
- IUPAC
- butyl N-[3-[3-[2-(benzimidazol-1-yl)acetyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
Names & synonyms
SCHEMBL1718923CHEMBL2086912NYEJISGUXQXOAU-UHFFFAOYSA-NN-Butyloxycarbonyl-3-[3-(2-benzoimidazol-1-ylacetyl)phenyl]-5-iso-butyl-thiophene-2-sulfonamide
Database identifiers
- PubChem CID
- 56965019
- ChEMBL
CHEMBL2086912
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 909
Related reactions
4 records
Compound notes
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