N-Butyloxycarbonyl-3-[3-(2-phenylimidazol-1-ylmethyl)phenyl]-5-iso-butyl-thiophene-2-sulfonamide
Basic information
- Standard SMILES
CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(Cn2ccnc2-c2ccccc2)c1- InChIKey
VCNPAPVCWXSSPT-UHFFFAOYSA-N- Molecular formula
- C29H33N3O4S2
- Average molar mass
- 551.7 g/mol
Names & identifiers
- Preferred name
- N-Butyloxycarbonyl-3-[3-(2-phenylimidazol-1-ylmethyl)phenyl]-5-iso-butyl-thiophene-2-sulfonamide
- IUPAC
- butyl N-[5-(2-methylpropyl)-3-[3-[(2-phenylimidazol-1-yl)methyl]phenyl]thiophen-2-yl]sulfonylcarbamate
Names & synonyms
SCHEMBL1718272CHEMBL2086898VCNPAPVCWXSSPT-UHFFFAOYSA-NN-Butyloxycarbonyl-3-[3-(2-phenylimidazol-1-ylmethyl)phenyl]-5-iso-butyl-thiophene-2-sulfonamide
Database identifiers
- PubChem CID
- 67132811
- ChEMBL
CHEMBL2086898
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 843
Related reactions
2 records
Compound notes
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