Basic information
- CAS
796121-53-4- Standard SMILES
CCc1sc(C(=O)Nc2ccc3c(c2)OCO3)cc1C- InChIKey
ICBSJWYYNKVTNA-UHFFFAOYSA-N- Molecular formula
- C15H15NO3S
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.07726451
Names & identifiers
- Preferred name
- N-(1,3-benzodioxol-5-yl)-5-ethyl-4-methylthiophene-2-carboxamide
- IUPAC
- N-(1,3-benzodioxol-5-yl)-5-ethyl-4-methylthiophene-2-carboxamide
Names & synonyms
N-(1,3-benzodioxol-5-yl)-5-ethyl-4-methylthiophene-2-carboxamideMLS002244950CHEMBL1513849DTXSID201322041HMS3048A10AKOS017048026796121-53-4SMR001308622Z27646684N-(2H-1,3-benzodioxol-5-yl)-5-ethyl-4-methylthiophene-2-carboxamide
Database identifiers
- CAS
796121-53-4- PubChem CID
- 4879656
- DTXSID
DTXSID201322041- ChEMBL
CHEMBL1513849
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 365
Experimental & physicochemical properties
Solubility4.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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