(2S)-N-cyclopentyl-2-(furan-2-yl)-2-(2-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide

C26H28N6O4 — CID 25448168

About (2S)-N-cyclopentyl-2-(furan-2-yl)-2-(2-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide

(2S)-N-cyclopentyl-2-(furan-2-yl)-2-(2-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide (PubChem CID 25448168) has the molecular formula C26H28N6O4 and a molecular weight of 488.55 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-(furan-2-yl)-2-(2-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide.

Molecular Properties

• Compound Name: (2S)-N-cyclopentyl-2-(furan-2-yl)-2-(2-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide
• PubChem CID: 25448168
• Molecular Formula: C26H28N6O4
• Molecular Weight: 488.55 g/mol
• Exact Mass: 488.22
• IUPAC Name: (2S)-N-cyclopentyl-2-(furan-2-yl)-2-(2-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3C)[C@H](C(=O)NC3CCCC3)c3ccco3)n2)o1
• InChI: InChI=1S/C26H28N6O4/c1-17-8-3-6-11-20(17)32(23(33)16-31-29-25(28-30-31)22-14-13-18(2)36-22)24(21-12-7-15-35-21)26(34)27-19-9-4-5-10-19/h3,6-8,11-15,19,24H,4-5,9-10,16H2,1-2H3,(H,27,34)/t24-/m0/s1
• InChIKey: KEQTZKSEAVBBRU-DEOSSOPVSA-N
• XLogP: 3.98
• TPSA: 119.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.55
LogP ≤ 5	3.98
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-yl)-2-(2-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide?

The IUPAC name of (2S)-N-cyclopentyl-2-(furan-2-yl)-2-(2-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide (CID 25448168) is (2S)-N-cyclopentyl-2-(furan-2-yl)-2-(2-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide.

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

The canonical SMILES for (2S)-N-cyclopentyl-2-(furan-2-yl)-2-(2-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide is Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3C)[C@H](C(=O)NC3CCCC3)c3ccco3)n2)o1.

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

The InChIKey is KEQTZKSEAVBBRU-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H28N6O4/c1-17-8-3-6-11-20(17)32(23(33)16-31-29-25(28-30-31)22-14-13-18(2)36-22)24(21-12-7-15-35-21)26(34)27-19-9-4-5-10-19/h3,6-8,11-15,19,24H,4-5,9-10,16H2,1-2H3,(H,27,34)/t24-/m0/s1.

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

(2S)-N-cyclopentyl-2-(furan-2-yl)-2-(2-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide has a molecular weight of 488.55 g/mol, XLogP of 3.98, 8 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-yl)-2-(2-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide is sourced from PubChem (CID 25448168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).