2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide

C23H26N2O2S — CID 112765064

About 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide (PubChem CID 112765064) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide.

Molecular Properties

• Compound Name: 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
• PubChem CID: 112765064
• Molecular Formula: C23H26N2O2S
• Molecular Weight: 394.54 g/mol
• Exact Mass: 394.17
• IUPAC Name: 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
• SMILES: O=C(Cc1coc2cc3c(cc12)CCC3)NCC(c1cccs1)N1CCCC1
• InChI: InChI=1S/C23H26N2O2S/c26-23(24-14-20(22-7-4-10-28-22)25-8-1-2-9-25)13-18-15-27-21-12-17-6-3-5-16(17)11-19(18)21/h4,7,10-12,15,20H,1-3,5-6,8-9,13-14H2,(H,24,26)
• InChIKey: UIZMLQHQGMJSSF-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 45.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.54
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide?

The IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide (CID 112765064) is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide.

What is the SMILES notation for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide?

The canonical SMILES for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide is O=C(Cc1coc2cc3c(cc12)CCC3)NCC(c1cccs1)N1CCCC1.

What is the InChIKey of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide?

The InChIKey is UIZMLQHQGMJSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S/c26-23(24-14-20(22-7-4-10-28-22)25-8-1-2-9-25)13-18-15-27-21-12-17-6-3-5-16(17)11-19(18)21/h4,7,10-12,15,20H,1-3,5-6,8-9,13-14H2,(H,24,26).

What are the key properties of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide?

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide has a molecular weight of 394.54 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 112765064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).