(2S)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide

C27H30N6O4 — CID 25448533

About (2S)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide

(2S)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide (PubChem CID 25448533) has the molecular formula C27H30N6O4 and a molecular weight of 502.58 g/mol. Its IUPAC name is (2S)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

• Compound Name: (2S)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
• PubChem CID: 25448533
• Molecular Formula: C27H30N6O4
• Molecular Weight: 502.58 g/mol
• Exact Mass: 502.23
• IUPAC Name: (2S)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3)[C@H](C(=O)NC3CCCC3)c3ccc(C)o3)n2)o1
• InChI: InChI=1S/C27H30N6O4/c1-18-12-14-22(36-18)25(27(35)28-21-10-6-7-11-21)32(16-20-8-4-3-5-9-20)24(34)17-33-30-26(29-31-33)23-15-13-19(2)37-23/h3-5,8-9,12-15,21,25H,6-7,10-11,16-17H2,1-2H3,(H,28,35)/t25-/m0/s1
• InChIKey: HOPGUJUMACLWMU-VWLOTQADSA-N
• XLogP: 3.97
• 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	502.58
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide?

The IUPAC name of (2S)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide (CID 25448533) is (2S)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide.

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

The canonical SMILES for (2S)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide is Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3)[C@H](C(=O)NC3CCCC3)c3ccc(C)o3)n2)o1.

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

The InChIKey is HOPGUJUMACLWMU-VWLOTQADSA-N. The full InChI is InChI=1S/C27H30N6O4/c1-18-12-14-22(36-18)25(27(35)28-21-10-6-7-11-21)32(16-20-8-4-3-5-9-20)24(34)17-33-30-26(29-31-33)23-15-13-19(2)37-23/h3-5,8-9,12-15,21,25H,6-7,10-11,16-17H2,1-2H3,(H,28,35)/t25-/m0/s1.

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

(2S)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 502.58 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 25448533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).