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

C24H32N6O4 — CID 25446537

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

(2S)-N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-4-methylpentanamide (PubChem CID 25446537) has the molecular formula C24H32N6O4 and a molecular weight of 468.56 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-4-methylpentanamide.

Molecular Properties

• Compound Name: (2S)-N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-4-methylpentanamide
• PubChem CID: 25446537
• Molecular Formula: C24H32N6O4
• Molecular Weight: 468.56 g/mol
• Exact Mass: 468.25
• IUPAC Name: (2S)-N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-4-methylpentanamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](CC(C)C)C(=O)NC3CCCC3)n2)o1
• InChI: InChI=1S/C24H32N6O4/c1-16(2)13-20(24(32)25-18-7-4-5-8-18)29(14-19-9-6-12-33-19)22(31)15-30-27-23(26-28-30)21-11-10-17(3)34-21/h6,9-12,16,18,20H,4-5,7-8,13-15H2,1-3H3,(H,25,32)/t20-/m0/s1
• InChIKey: UEOUDUALOUZWSD-FQEVSTJZSA-N
• XLogP: 3.34
• TPSA: 119.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.56
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (2S)-N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-4-methylpentanamide (CID 25446537) is (2S)-N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-4-methylpentanamide.

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

The canonical SMILES for (2S)-N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-4-methylpentanamide is Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](CC(C)C)C(=O)NC3CCCC3)n2)o1.

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

The InChIKey is UEOUDUALOUZWSD-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H32N6O4/c1-16(2)13-20(24(32)25-18-7-4-5-8-18)29(14-19-9-6-12-33-19)22(31)15-30-27-23(26-28-30)21-11-10-17(3)34-21/h6,9-12,16,18,20H,4-5,7-8,13-15H2,1-3H3,(H,25,32)/t20-/m0/s1.

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

(2S)-N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-4-methylpentanamide has a molecular weight of 468.56 g/mol, XLogP of 3.34, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-4-methylpentanamide is sourced from PubChem (CID 25446537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).