4-[(3-fluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carboxamide

C20H23FN2O2S — CID 19493303

About 4-[(3-fluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carboxamide

4-[(3-fluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carboxamide (PubChem CID 19493303) has the molecular formula C20H23FN2O2S and a molecular weight of 374.48 g/mol. Its IUPAC name is 4-[(3-fluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 4-[(3-fluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carboxamide
• PubChem CID: 19493303
• Molecular Formula: C20H23FN2O2S
• Molecular Weight: 374.48 g/mol
• Exact Mass: 374.15
• IUPAC Name: 4-[(3-fluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carboxamide
• SMILES: CN1C2CCC1CC(NC(=O)c1cc(COc3cccc(F)c3)cs1)C2
• InChI: InChI=1S/C20H23FN2O2S/c1-23-16-5-6-17(23)10-15(9-16)22-20(24)19-7-13(12-26-19)11-25-18-4-2-3-14(21)8-18/h2-4,7-8,12,15-17H,5-6,9-11H2,1H3,(H,22,24)
• InChIKey: AGUOGVKALRERFD-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.48
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carboxamide?

The IUPAC name of 4-[(3-fluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carboxamide (CID 19493303) is 4-[(3-fluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carboxamide.

What is the SMILES notation for 4-[(3-fluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carboxamide?

The canonical SMILES for 4-[(3-fluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carboxamide is CN1C2CCC1CC(NC(=O)c1cc(COc3cccc(F)c3)cs1)C2.

What is the InChIKey of 4-[(3-fluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carboxamide?

The InChIKey is AGUOGVKALRERFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2S/c1-23-16-5-6-17(23)10-15(9-16)22-20(24)19-7-13(12-26-19)11-25-18-4-2-3-14(21)8-18/h2-4,7-8,12,15-17H,5-6,9-11H2,1H3,(H,22,24).

What are the key properties of 4-[(3-fluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carboxamide?

4-[(3-fluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carboxamide has a molecular weight of 374.48 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-fluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 19493303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).