2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
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Basic information
- CAS
333329-76-3- Standard SMILES
CCOc1ccc2nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)c(C#N)cc2c1- InChIKey
RYGBANNBHNWRMH-UHFFFAOYSA-N- Molecular formula
- C23H20N4O2S2
- Average molar mass
- 448.6 g/mol
- Monoisotopic mass
- 448.10276824
Names & identifiers
- Preferred name
- 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
- IUPAC
- 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
- English name
- 2-[(3-cyano-6-ethoxy-2-quinolinyl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetamide
- Molecular formula
- C23H20N4O2S2
- Molecular weight
- 448.5605
Names & synonyms
2-[(3-cyano-6-ethoxy-2-quinolinyl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetamideOprea1_082318Oprea1_788187AKOS0005894202-(3-cyano-6-ethoxyquinolin-2-yl)sulfanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamideST50262846AG-690/40752921N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))-2-(3-cyano-6-ethoxy(2-qui nolylthio))acetamide
Database identifiers
- CAS
333329-76-3- PubChem CID
- 1735589
Properties
Computed structural propertiesFilling in
- XLogP
- 5.5
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 746
Related reactions
0 records
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Compound notes
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