(4R)-N-phenyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C21H17F3N2OS — CID 6976196

About (4R)-N-phenyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

(4R)-N-phenyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 6976196) has the molecular formula C21H17F3N2OS and a molecular weight of 402.44 g/mol. Its IUPAC name is (4R)-N-phenyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: (4R)-N-phenyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
• PubChem CID: 6976196
• Molecular Formula: C21H17F3N2OS
• Molecular Weight: 402.44 g/mol
• Exact Mass: 402.10
• IUPAC Name: (4R)-N-phenyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
• SMILES: O=C(Nc1ccccc1)N1CCc2sccc2[C@H]1c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C21H17F3N2OS/c22-21(23,24)15-8-6-14(7-9-15)19-17-11-13-28-18(17)10-12-26(19)20(27)25-16-4-2-1-3-5-16/h1-9,11,13,19H,10,12H2,(H,25,27)/t19-/m1/s1
• InChIKey: ZENWGCUDJZGQEF-LJQANCHMSA-N
• XLogP: 5.95
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	402.44
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of (4R)-N-phenyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 6976196) is (4R)-N-phenyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

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

The canonical SMILES for (4R)-N-phenyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is O=C(Nc1ccccc1)N1CCc2sccc2[C@H]1c1ccc(C(F)(F)F)cc1.

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

The InChIKey is ZENWGCUDJZGQEF-LJQANCHMSA-N. The full InChI is InChI=1S/C21H17F3N2OS/c22-21(23,24)15-8-6-14(7-9-15)19-17-11-13-28-18(17)10-12-26(19)20(27)25-16-4-2-1-3-5-16/h1-9,11,13,19H,10,12H2,(H,25,27)/t19-/m1/s1.

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

(4R)-N-phenyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 402.44 g/mol, XLogP of 5.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-N-phenyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 6976196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).