N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(5-methylfuran-2-yl)acetamide

C26H30N2O4S — CID 3202441

About N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(5-methylfuran-2-yl)acetamide

N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(5-methylfuran-2-yl)acetamide (PubChem CID 3202441) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(5-methylfuran-2-yl)acetamide
• PubChem CID: 3202441
• Molecular Formula: C26H30N2O4S
• Molecular Weight: 466.60 g/mol
• Exact Mass: 466.19
• IUPAC Name: N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(5-methylfuran-2-yl)acetamide
• SMILES: COc1cccc(CN(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccc(C)o2)c1
• InChI: InChI=1S/C26H30N2O4S/c1-18-12-13-23(32-18)25(26(30)27-20-8-3-4-9-20)28(24(29)16-22-11-6-14-33-22)17-19-7-5-10-21(15-19)31-2/h5-7,10-15,20,25H,3-4,8-9,16-17H2,1-2H3,(H,27,30)
• InChIKey: TVAZTEOFVLYCIZ-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.60
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(5-methylfuran-2-yl)acetamide?

The IUPAC name of N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(5-methylfuran-2-yl)acetamide (CID 3202441) is N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(5-methylfuran-2-yl)acetamide.

What is the SMILES notation for N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(5-methylfuran-2-yl)acetamide?

The canonical SMILES for N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(5-methylfuran-2-yl)acetamide is COc1cccc(CN(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccc(C)o2)c1.

What is the InChIKey of N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(5-methylfuran-2-yl)acetamide?

The InChIKey is TVAZTEOFVLYCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-18-12-13-23(32-18)25(26(30)27-20-8-3-4-9-20)28(24(29)16-22-11-6-14-33-22)17-19-7-5-10-21(15-19)31-2/h5-7,10-15,20,25H,3-4,8-9,16-17H2,1-2H3,(H,27,30).

What are the key properties of N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(5-methylfuran-2-yl)acetamide?

N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 466.60 g/mol, XLogP of 5.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 3202441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).