Basic information
- Standard SMILES
COc1cc(C)c(S(=O)(=O)N(Cc2nnc(C(=O)N(C)Cc3ccc(CN4CCCC4)cc3)o2)C2CC2)c(C)c1- InChIKey
REMNDANKPMNTDE-UHFFFAOYSA-N- Molecular formula
- C29H37N5O5S
- Average molar mass
- 567.7 g/mol
- Monoisotopic mass
- 567.25154047
Names & identifiers
- Preferred name
- 5-({Cyclopropyl[(4-methoxy-2,6-dimethylphenyl)sulfonyl]amino}methyl)-N-methyl-N-[4-(pyrrolidin-1-ylmethyl)benzyl]-1,3,4-oxadiazole-2-carboxamide
- IUPAC
- 5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide
Names & synonyms
SCHEMBL2236641REMNDANKPMNTDE-UHFFFAOYSA-N5-({Cyclopropyl[(4-methoxy-2,6-dimethylphenyl)sulfonyl]amino}methyl)-N-methyl-N-[4-(pyrrolidin-1-ylmethyl)benzyl]-1,3,4-oxadiazole-2-carboxamide
Database identifiers
- PubChem CID
- 46176154
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 933
Related reactions
1 records
Compound notes
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