N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-1,3-benzodioxole-5-carboxamide
Basic information
- CAS
329221-76-3- Standard SMILES
CCc1c(C)sc(NC(=O)c2ccc3c(c2)OCO3)c1C(N)=O- InChIKey
CNLGOOOZAGSFPH-UHFFFAOYSA-N- Molecular formula
- C16H16N2O4S
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.08307817
Names & identifiers
- Preferred name
- N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-1,3-benzodioxole-5-carboxamide
- IUPAC
- N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-1,3-benzodioxole-5-carboxamide
Names & synonyms
329221-76-3N-[3-(Aminocarbonyl)-4-ethyl-5-methyl-2-thienyl]-1,3-benzodioxole-5-carboxamideN-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-1,3-benzodioxole-5-carboxamideN-(3-CARBAMOYL-4-ETHYL-5-METHYLTHIOPHEN-2-YL)-2H-1,3-BENZODIOXOLE-5-CARBOXAMIDEOprea1_450037Oprea1_775935DTXSID001136238STK426875AKOS000578993ST005325AK-968/370052432-(2H-benzo[3,4-d]1,3-dioxolen-5-ylcarbonylamino)-4-ethyl-5-methylthiophene-3- carboxamide
Database identifiers
- CAS
329221-76-3- PubChem CID
- 673535
- DTXSID
DTXSID001136238
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 475
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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