N-cyclopentyl-2-(2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide

C26H26F2N2O2S — CID 3202805

About N-cyclopentyl-2-(2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide

N-cyclopentyl-2-(2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide (PubChem CID 3202805) has the molecular formula C26H26F2N2O2S and a molecular weight of 468.57 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2-(2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
• PubChem CID: 3202805
• Molecular Formula: C26H26F2N2O2S
• Molecular Weight: 468.57 g/mol
• Exact Mass: 468.17
• IUPAC Name: N-cyclopentyl-2-(2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
• SMILES: O=C(NC1CCCC1)C(c1ccccc1F)N(Cc1ccc(F)cc1)C(=O)Cc1cccs1
• InChI: InChI=1S/C26H26F2N2O2S/c27-19-13-11-18(12-14-19)17-30(24(31)16-21-8-5-15-33-21)25(22-9-3-4-10-23(22)28)26(32)29-20-6-1-2-7-20/h3-5,8-15,20,25H,1-2,6-7,16-17H2,(H,29,32)
• InChIKey: MMWLKIBMYXKYSG-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.57
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-cyclopentyl-2-(2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide (CID 3202805) is N-cyclopentyl-2-(2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide.

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

The canonical SMILES for N-cyclopentyl-2-(2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide is O=C(NC1CCCC1)C(c1ccccc1F)N(Cc1ccc(F)cc1)C(=O)Cc1cccs1.

What is the InChIKey of N-cyclopentyl-2-(2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide?

The InChIKey is MMWLKIBMYXKYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N2O2S/c27-19-13-11-18(12-14-19)17-30(24(31)16-21-8-5-15-33-21)25(22-9-3-4-10-23(22)28)26(32)29-20-6-1-2-7-20/h3-5,8-15,20,25H,1-2,6-7,16-17H2,(H,29,32).

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

N-cyclopentyl-2-(2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide has a molecular weight of 468.57 g/mol, XLogP of 5.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2-(2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide is sourced from PubChem (CID 3202805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).