N-(6-acetyl-1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide

HCID 8933682

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Basic information

CAS: 876909-32-9
Standard SMILES: CC(=O)c1cc2c(cc1NC(=O)Cc1ccsc1)OCO2
InChIKey: RJFDQSXEGDVFNT-UHFFFAOYSA-N
Molecular formula: C15H13NO4S
Average molar mass: 303.3 g/mol
Monoisotopic mass: 303.05652907

Names & identifiers

Preferred name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide
IUPAC: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide

Names & synonyms

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamideMLS002157663CHEMBL1898530SCHEMBL21722092DTXSID501329753HMS3054J15AKOS034110854876909-32-9SMR001240151Z29845155N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-(thiophen-3-yl)acetamide

Database identifiers

CAS: 876909-32-9
PubChem CID: 8933682
DTXSID: DTXSID501329753
ChEMBL: CHEMBL1898530

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 92.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 416

Experimental & physicochemical properties

Solubility10.5 [ug/mL] (The mean of the results at pH 7.4)

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