2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
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Basic information
- CAS
5348-88-9- Standard SMILES
CCOc1ccc2nc(SCC(=O)NCCc3ccccc3)sc2c1- InChIKey
UTOOWFLLBHGSFG-UHFFFAOYSA-N- Molecular formula
- C19H20N2O2S2
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.09662023
Names & identifiers
- Preferred name
- 2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
- IUPAC
- 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
- English name
- 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
- Molecular formula
- C19H20N2O2S2
- Molecular weight
- 372.5
Names & synonyms
2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide5348-88-92-[(6-Ethoxy-2-benzothiazolyl)thio]-N-phenethylacetamide332886-41-62-((6-Ethoxybenzo[d]thiazol-2-yl)thio)-N-phenethylacetamideCBMicro_018858Oprea1_022726Oprea1_854730DTXSID70347313UTOOWFLLBHGSFG-UHFFFAOYSA-N2-(6-Ethoxy-benzothiazol-2-ylsulfanyl)-N-phenethyl-acetamideCCG-6954
Show more names
Acetamide, 2-[(6-ethoxy-2-benzothiazolyl)thio]-N-(2-phenylethyl)-
MFCD00843557STK124592AKOS000621317SY271457BIM-0018715.P001EU-0086321ST50428478AG-205/33665015
Database identifiers
- CAS
5348-88-9- PubChem CID
- 619987
- DTXSID
DTXSID70347313
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 418
Physicochemical properties
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 14.21 · 14.21±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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