N-cyclohexyl-2-(4-ethoxyphenyl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide

C27H32N2O4S — CID 3190993

About N-cyclohexyl-2-(4-ethoxyphenyl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide

N-cyclohexyl-2-(4-ethoxyphenyl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide (PubChem CID 3190993) has the molecular formula C27H32N2O4S and a molecular weight of 480.63 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-ethoxyphenyl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide.

Molecular Properties

• Compound Name: N-cyclohexyl-2-(4-ethoxyphenyl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide
• PubChem CID: 3190993
• Molecular Formula: C27H32N2O4S
• Molecular Weight: 480.63 g/mol
• Exact Mass: 480.21
• IUPAC Name: N-cyclohexyl-2-(4-ethoxyphenyl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide
• SMILES: CCOc1ccc(C(C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)Cc2cccs2)cc1
• InChI: InChI=1S/C27H32N2O4S/c1-2-32-22-14-12-20(13-15-22)26(27(31)28-21-8-4-3-5-9-21)29(19-23-10-6-16-33-23)25(30)18-24-11-7-17-34-24/h6-7,10-17,21,26H,2-5,8-9,18-19H2,1H3,(H,28,31)
• InChIKey: DRPBEZUQRPLVBT-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.63
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-ethoxyphenyl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide?

The IUPAC name of N-cyclohexyl-2-(4-ethoxyphenyl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide (CID 3190993) is N-cyclohexyl-2-(4-ethoxyphenyl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide.

What is the SMILES notation for N-cyclohexyl-2-(4-ethoxyphenyl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide?

The canonical SMILES for N-cyclohexyl-2-(4-ethoxyphenyl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide is CCOc1ccc(C(C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)Cc2cccs2)cc1.

What is the InChIKey of N-cyclohexyl-2-(4-ethoxyphenyl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide?

The InChIKey is DRPBEZUQRPLVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4S/c1-2-32-22-14-12-20(13-15-22)26(27(31)28-21-8-4-3-5-9-21)29(19-23-10-6-16-33-23)25(30)18-24-11-7-17-34-24/h6-7,10-17,21,26H,2-5,8-9,18-19H2,1H3,(H,28,31).

What are the key properties of N-cyclohexyl-2-(4-ethoxyphenyl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide?

N-cyclohexyl-2-(4-ethoxyphenyl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide has a molecular weight of 480.63 g/mol, XLogP of 5.50, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-2-(4-ethoxyphenyl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide is sourced from PubChem (CID 3190993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).