N-[2-(2-fluorophenyl)ethyl]-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-4-carboxamide

C24H23F4N3O2S — CID 55782419

About N-[2-(2-fluorophenyl)ethyl]-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-4-carboxamide

N-[2-(2-fluorophenyl)ethyl]-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-4-carboxamide (PubChem CID 55782419) has the molecular formula C24H23F4N3O2S and a molecular weight of 493.53 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2-fluorophenyl)ethyl]-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-4-carboxamide
• PubChem CID: 55782419
• Molecular Formula: C24H23F4N3O2S
• Molecular Weight: 493.53 g/mol
• Exact Mass: 493.14
• IUPAC Name: N-[2-(2-fluorophenyl)ethyl]-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-4-carboxamide
• SMILES: Cc1c(C(=O)N2CCC(C(=O)NCCc3ccccc3F)CC2)sc2nc(C(F)(F)F)ccc12
• InChI: InChI=1S/C24H23F4N3O2S/c1-14-17-6-7-19(24(26,27)28)30-22(17)34-20(14)23(33)31-12-9-16(10-13-31)21(32)29-11-8-15-4-2-3-5-18(15)25/h2-7,16H,8-13H2,1H3,(H,29,32)
• InChIKey: MUFCIJJLZOPKGY-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.53
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-4-carboxamide?

The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-4-carboxamide (CID 55782419) is N-[2-(2-fluorophenyl)ethyl]-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-4-carboxamide.

What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-4-carboxamide?

The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-4-carboxamide is Cc1c(C(=O)N2CCC(C(=O)NCCc3ccccc3F)CC2)sc2nc(C(F)(F)F)ccc12.

What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-4-carboxamide?

The InChIKey is MUFCIJJLZOPKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N3O2S/c1-14-17-6-7-19(24(26,27)28)30-22(17)34-20(14)23(33)31-12-9-16(10-13-31)21(32)29-11-8-15-4-2-3-5-18(15)25/h2-7,16H,8-13H2,1H3,(H,29,32).

What are the key properties of N-[2-(2-fluorophenyl)ethyl]-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-4-carboxamide?

N-[2-(2-fluorophenyl)ethyl]-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-4-carboxamide has a molecular weight of 493.53 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-fluorophenyl)ethyl]-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 55782419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).