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

C26H27FN6O4 — CID 3180301

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

N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide (PubChem CID 3180301) has the molecular formula C26H27FN6O4 and a molecular weight of 506.54 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide
• PubChem CID: 3180301
• Molecular Formula: C26H27FN6O4
• Molecular Weight: 506.54 g/mol
• Exact Mass: 506.21
• IUPAC Name: N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(Cc3ccc(F)cc3)C(C(=O)NC3CCCC3)c3ccco3)n2)o1
• InChI: InChI=1S/C26H27FN6O4/c1-17-8-13-22(37-17)25-29-31-33(30-25)16-23(34)32(15-18-9-11-19(27)12-10-18)24(21-7-4-14-36-21)26(35)28-20-5-2-3-6-20/h4,7-14,20,24H,2-3,5-6,15-16H2,1H3,(H,28,35)
• InChIKey: SZSSYZYEICXTEH-UHFFFAOYSA-N
• XLogP: 3.80
• 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	506.54
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide (CID 3180301) is N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide.

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

The canonical SMILES for N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide is Cc1ccc(-c2nnn(CC(=O)N(Cc3ccc(F)cc3)C(C(=O)NC3CCCC3)c3ccco3)n2)o1.

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

The InChIKey is SZSSYZYEICXTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O4/c1-17-8-13-22(37-17)25-29-31-33(30-25)16-23(34)32(15-18-9-11-19(27)12-10-18)24(21-7-4-14-36-21)26(35)28-20-5-2-3-6-20/h4,7-14,20,24H,2-3,5-6,15-16H2,1H3,(H,28,35).

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

N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide has a molecular weight of 506.54 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide is sourced from PubChem (CID 3180301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).