2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide

C26H27ClN6O4 — CID 3180363

About 2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide

2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide (PubChem CID 3180363) has the molecular formula C26H27ClN6O4 and a molecular weight of 522.99 g/mol. Its IUPAC name is 2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
• PubChem CID: 3180363
• Molecular Formula: C26H27ClN6O4
• Molecular Weight: 522.99 g/mol
• Exact Mass: 522.18
• IUPAC Name: 2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
• SMILES: Cc1ccc(C(C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)o1
• InChI: InChI=1S/C26H27ClN6O4/c1-17-8-13-22(37-17)24(26(35)28-20-5-2-3-6-20)32(15-21-7-4-14-36-21)23(34)16-33-30-25(29-31-33)18-9-11-19(27)12-10-18/h4,7-14,20,24H,2-3,5-6,15-16H2,1H3,(H,28,35)
• InChIKey: FRIIEBIDPMMPRN-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 119.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.99
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide?

The IUPAC name of 2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide (CID 3180363) is 2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide.

What is the SMILES notation for 2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide?

The canonical SMILES for 2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide is Cc1ccc(C(C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)o1.

What is the InChIKey of 2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide?

The InChIKey is FRIIEBIDPMMPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN6O4/c1-17-8-13-22(37-17)24(26(35)28-20-5-2-3-6-20)32(15-21-7-4-14-36-21)23(34)16-33-30-25(29-31-33)18-9-11-19(27)12-10-18/h4,7-14,20,24H,2-3,5-6,15-16H2,1H3,(H,28,35).

What are the key properties of 2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide?

2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 522.99 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 3180363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).