4-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzonitrile

C22H18N2O2S — CID 9245848

About 4-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzonitrile

4-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzonitrile (PubChem CID 9245848) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 4-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzonitrile.

Molecular Properties

• Compound Name: 4-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzonitrile
• PubChem CID: 9245848
• Molecular Formula: C22H18N2O2S
• Molecular Weight: 374.47 g/mol
• Exact Mass: 374.11
• IUPAC Name: 4-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzonitrile
• SMILES: N#Cc1ccc(OCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1
• InChI: InChI=1S/C22H18N2O2S/c23-14-16-6-8-18(9-7-16)26-15-21(25)24-12-10-20-19(11-13-27-20)22(24)17-4-2-1-3-5-17/h1-9,11,13,22H,10,12,15H2/t22-/m0/s1
• InChIKey: SRKZSIHJGAWOGT-QFIPXVFZSA-N
• XLogP: 4.17
• TPSA: 53.33 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.47
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzonitrile?

The IUPAC name of 4-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzonitrile (CID 9245848) is 4-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzonitrile.

What is the SMILES notation for 4-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzonitrile?

The canonical SMILES for 4-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzonitrile is N#Cc1ccc(OCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1.

What is the InChIKey of 4-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzonitrile?

The InChIKey is SRKZSIHJGAWOGT-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H18N2O2S/c23-14-16-6-8-18(9-7-16)26-15-21(25)24-12-10-20-19(11-13-27-20)22(24)17-4-2-1-3-5-17/h1-9,11,13,22H,10,12,15H2/t22-/m0/s1.

What are the key properties of 4-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzonitrile?

4-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzonitrile has a molecular weight of 374.47 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzonitrile is sourced from PubChem (CID 9245848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).