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

C27H32N2O5S — CID 3191075

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

N-cyclohexyl-2-(2,4-dimethoxyphenyl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide (PubChem CID 3191075) has the molecular formula C27H32N2O5S and a molecular weight of 496.63 g/mol. Its IUPAC name is N-cyclohexyl-2-(2,4-dimethoxyphenyl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide.

Molecular Properties

• Compound Name: N-cyclohexyl-2-(2,4-dimethoxyphenyl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide
• PubChem CID: 3191075
• Molecular Formula: C27H32N2O5S
• Molecular Weight: 496.63 g/mol
• Exact Mass: 496.20
• IUPAC Name: N-cyclohexyl-2-(2,4-dimethoxyphenyl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide
• SMILES: COc1ccc(C(C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)Cc2cccs2)c(OC)c1
• InChI: InChI=1S/C27H32N2O5S/c1-32-20-12-13-23(24(16-20)33-2)26(27(31)28-19-8-4-3-5-9-19)29(18-21-10-6-14-34-21)25(30)17-22-11-7-15-35-22/h6-7,10-16,19,26H,3-5,8-9,17-18H2,1-2H3,(H,28,31)
• InChIKey: FNIBJHNAGJIQIJ-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 81.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.63
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-cyclohexyl-2-(2,4-dimethoxyphenyl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide (CID 3191075) is N-cyclohexyl-2-(2,4-dimethoxyphenyl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide.

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

The canonical SMILES for N-cyclohexyl-2-(2,4-dimethoxyphenyl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide is COc1ccc(C(C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)Cc2cccs2)c(OC)c1.

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

The InChIKey is FNIBJHNAGJIQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O5S/c1-32-20-12-13-23(24(16-20)33-2)26(27(31)28-19-8-4-3-5-9-19)29(18-21-10-6-14-34-21)25(30)17-22-11-7-15-35-22/h6-7,10-16,19,26H,3-5,8-9,17-18H2,1-2H3,(H,28,31).

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

N-cyclohexyl-2-(2,4-dimethoxyphenyl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide has a molecular weight of 496.63 g/mol, XLogP of 5.12, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-2-(2,4-dimethoxyphenyl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide is sourced from PubChem (CID 3191075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).