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

C26H28N6O5 — CID 6550839

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

(2S)-N-cyclopentyl-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetamide (PubChem CID 6550839) has the molecular formula C26H28N6O5 and a molecular weight of 504.55 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetamide.

Molecular Properties

• Compound Name: (2S)-N-cyclopentyl-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetamide
• PubChem CID: 6550839
• Molecular Formula: C26H28N6O5
• Molecular Weight: 504.55 g/mol
• Exact Mass: 504.21
• IUPAC Name: (2S)-N-cyclopentyl-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetamide
• SMILES: COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@H](C(=O)NC3CCCC3)c3ccco3)n2)cc1
• InChI: InChI=1S/C26H28N6O5/c1-35-20-12-10-18(11-13-20)25-28-30-32(29-25)17-23(33)31(16-21-8-4-14-36-21)24(22-9-5-15-37-22)26(34)27-19-6-2-3-7-19/h4-5,8-15,19,24H,2-3,6-7,16-17H2,1H3,(H,27,34)/t24-/m0/s1
• InChIKey: DAUVHRJAOFOKMQ-DEOSSOPVSA-N
• XLogP: 3.36
• TPSA: 128.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.55
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of (2S)-N-cyclopentyl-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetamide (CID 6550839) is (2S)-N-cyclopentyl-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetamide.

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

The canonical SMILES for (2S)-N-cyclopentyl-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetamide is COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@H](C(=O)NC3CCCC3)c3ccco3)n2)cc1.

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

The InChIKey is DAUVHRJAOFOKMQ-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H28N6O5/c1-35-20-12-10-18(11-13-20)25-28-30-32(29-25)17-23(33)31(16-21-8-4-14-36-21)24(22-9-5-15-37-22)26(34)27-19-6-2-3-7-19/h4-5,8-15,19,24H,2-3,6-7,16-17H2,1H3,(H,27,34)/t24-/m0/s1.

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

(2S)-N-cyclopentyl-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetamide has a molecular weight of 504.55 g/mol, XLogP of 3.36, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-cyclopentyl-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetamide is sourced from PubChem (CID 6550839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).