2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide

C26H28N2O4S — CID 3202455

About 2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide

2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide (PubChem CID 3202455) has the molecular formula C26H28N2O4S and a molecular weight of 464.59 g/mol. Its IUPAC name is 2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
• PubChem CID: 3202455
• Molecular Formula: C26H28N2O4S
• Molecular Weight: 464.59 g/mol
• Exact Mass: 464.18
• IUPAC Name: 2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
• SMILES: CC(=O)c1cccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccc(C)o2)c1
• InChI: InChI=1S/C26H28N2O4S/c1-17-12-13-23(32-17)25(26(31)27-20-8-3-4-9-20)28(24(30)16-22-11-6-14-33-22)21-10-5-7-19(15-21)18(2)29/h5-7,10-15,20,25H,3-4,8-9,16H2,1-2H3,(H,27,31)
• InChIKey: YTHGAXWSUCCKIX-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 79.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.59
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide?

The IUPAC name of 2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide (CID 3202455) is 2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide.

What is the SMILES notation for 2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide?

The canonical SMILES for 2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide is CC(=O)c1cccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccc(C)o2)c1.

What is the InChIKey of 2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide?

The InChIKey is YTHGAXWSUCCKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4S/c1-17-12-13-23(32-17)25(26(31)27-20-8-3-4-9-20)28(24(30)16-22-11-6-14-33-22)21-10-5-7-19(15-21)18(2)29/h5-7,10-15,20,25H,3-4,8-9,16H2,1-2H3,(H,27,31).

What are the key properties of 2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide?

2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 464.59 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 3202455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).