N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)thiophene-2-carboxamide
Basic information
- CAS
851710-67-3- Standard SMILES
O=C(NCC1COc2ccccc2O1)c1cccs1- InChIKey
RMNVNIGZUDWDJQ-UHFFFAOYSA-N- Molecular formula
- C14H13NO3S
- Average molar mass
- 275.32 g/mol
- Monoisotopic mass
- 275.06161445
Names & identifiers
- Preferred name
- N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)thiophene-2-carboxamide
- IUPAC
- N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)thiophene-2-carboxamide
Names & synonyms
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)thiophene-2-carboxamideMLS001172160CHEMBL1363600DTXSID501330821HMS1734H10HMS2893D17AKOS008919251NCGC00279558-01851710-67-3SMR000591121AB00835902-07Z29885271
Show more names
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]thiophene-2-carboxamide
Database identifiers
- CAS
851710-67-3- PubChem CID
- 4883464
- DTXSID
DTXSID501330821- ChEMBL
CHEMBL1363600
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 326
Experimental & physicochemical properties
Solubility39.7 [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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