2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide

C27H25FN2O4S — CID 3210871

About 2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide

2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 3210871) has the molecular formula C27H25FN2O4S and a molecular weight of 492.57 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
• PubChem CID: 3210871
• Molecular Formula: C27H25FN2O4S
• Molecular Weight: 492.57 g/mol
• Exact Mass: 492.15
• IUPAC Name: 2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
• SMILES: COc1ccc(CNC(=O)C(c2ccco2)N(Cc2ccc(F)cc2)C(=O)Cc2cccs2)cc1
• InChI: InChI=1S/C27H25FN2O4S/c1-33-22-12-8-19(9-13-22)17-29-27(32)26(24-5-2-14-34-24)30(18-20-6-10-21(28)11-7-20)25(31)16-23-4-3-15-35-23/h2-15,26H,16-18H2,1H3,(H,29,32)
• InChIKey: HTOYCPHMRONJBN-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.57
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide (CID 3210871) is 2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide.

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

The canonical SMILES for 2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)C(c2ccco2)N(Cc2ccc(F)cc2)C(=O)Cc2cccs2)cc1.

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

The InChIKey is HTOYCPHMRONJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN2O4S/c1-33-22-12-8-19(9-13-22)17-29-27(32)26(24-5-2-14-34-24)30(18-20-6-10-21(28)11-7-20)25(31)16-23-4-3-15-35-23/h2-15,26H,16-18H2,1H3,(H,29,32).

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

2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 492.57 g/mol, XLogP of 5.12, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 3210871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).