N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-2-ylacetamide

C26H28FN3O2S — CID 3191151

About N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-2-ylacetamide

N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-2-ylacetamide (PubChem CID 3191151) has the molecular formula C26H28FN3O2S and a molecular weight of 465.59 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-2-ylacetamide.

Molecular Properties

• Compound Name: N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-2-ylacetamide
• PubChem CID: 3191151
• Molecular Formula: C26H28FN3O2S
• Molecular Weight: 465.59 g/mol
• Exact Mass: 465.19
• IUPAC Name: N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-2-ylacetamide
• SMILES: O=C(NC1CCCCC1)C(c1ccccn1)N(Cc1ccc(F)cc1)C(=O)Cc1cccs1
• InChI: InChI=1S/C26H28FN3O2S/c27-20-13-11-19(12-14-20)18-30(24(31)17-22-9-6-16-33-22)25(23-10-4-5-15-28-23)26(32)29-21-7-2-1-3-8-21/h4-6,9-16,21,25H,1-3,7-8,17-18H2,(H,29,32)
• InChIKey: PRMQCHCZTUHEPX-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.59
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-2-ylacetamide?

The IUPAC name of N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-2-ylacetamide (CID 3191151) is N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-2-ylacetamide.

What is the SMILES notation for N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-2-ylacetamide?

The canonical SMILES for N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-2-ylacetamide is O=C(NC1CCCCC1)C(c1ccccn1)N(Cc1ccc(F)cc1)C(=O)Cc1cccs1.

What is the InChIKey of N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-2-ylacetamide?

The InChIKey is PRMQCHCZTUHEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O2S/c27-20-13-11-19(12-14-20)18-30(24(31)17-22-9-6-16-33-22)25(23-10-4-5-15-28-23)26(32)29-21-7-2-1-3-8-21/h4-6,9-16,21,25H,1-3,7-8,17-18H2,(H,29,32).

What are the key properties of N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-2-ylacetamide?

N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-2-ylacetamide has a molecular weight of 465.59 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 3191151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).