N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methylbenzamide
Basic information
- CAS
913247-61-7- Standard SMILES
CCCC(=O)Nc1nc2ccc(NC(=O)c3ccccc3C)cc2s1- InChIKey
INOHXHWIAIGVDJ-UHFFFAOYSA-N- Molecular formula
- C19H19N3O2S
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.11979803
Names & identifiers
- Preferred name
- N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methylbenzamide
- IUPAC
- N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methylbenzamide
Names & synonyms
913247-61-72-Methyl-N-[2-[(1-oxobutyl)amino]-6-benzothiazolyl]benzamideN-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methylbenzamideDTXSID901183955STK498332AKOS000428395AP-970/43204490N-[2-(butyrylamino)-1,3-benzothiazol-6-yl]-2-methylbenzamideN-(2-BUTANAMIDO-1,3-BENZOTHIAZOL-6-YL)-2-METHYLBENZAMIDE
Database identifiers
- CAS
913247-61-7- PubChem CID
- 20182855
- DTXSID
DTXSID901183955
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 487
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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