1-[4-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]ethanone

C23H18F3NO2S — CID 21264414

About 1-[4-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]ethanone

1-[4-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]ethanone (PubChem CID 21264414) has the molecular formula C23H18F3NO2S and a molecular weight of 429.46 g/mol. Its IUPAC name is 1-[4-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]ethanone
• PubChem CID: 21264414
• Molecular Formula: C23H18F3NO2S
• Molecular Weight: 429.46 g/mol
• Exact Mass: 429.10
• IUPAC Name: 1-[4-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]ethanone
• SMILES: CC(=O)c1ccc(C(=O)N2CCc3sccc3C2c2ccc(C(F)(F)F)cc2)cc1
• InChI: InChI=1S/C23H18F3NO2S/c1-14(28)15-2-4-17(5-3-15)22(29)27-12-10-20-19(11-13-30-20)21(27)16-6-8-18(9-7-16)23(24,25)26/h2-9,11,13,21H,10,12H2,1H3
• InChIKey: YHAZNPRDAJSVTF-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 37.38 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.46
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]ethanone?

The IUPAC name of 1-[4-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]ethanone (CID 21264414) is 1-[4-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]ethanone.

What is the SMILES notation for 1-[4-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]ethanone?

The canonical SMILES for 1-[4-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]ethanone is CC(=O)c1ccc(C(=O)N2CCc3sccc3C2c2ccc(C(F)(F)F)cc2)cc1.

What is the InChIKey of 1-[4-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]ethanone?

The InChIKey is YHAZNPRDAJSVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3NO2S/c1-14(28)15-2-4-17(5-3-15)22(29)27-12-10-20-19(11-13-30-20)21(27)16-6-8-18(9-7-16)23(24,25)26/h2-9,11,13,21H,10,12H2,1H3.

What are the key properties of 1-[4-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]ethanone?

1-[4-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]ethanone has a molecular weight of 429.46 g/mol, XLogP of 5.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]ethanone is sourced from PubChem (CID 21264414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).