2-[benzyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-tert-butyl-2-(5-methylfuran-2-yl)acetamide

C25H28N6O3S — CID 3190087

About 2-[benzyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-tert-butyl-2-(5-methylfuran-2-yl)acetamide

2-[benzyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-tert-butyl-2-(5-methylfuran-2-yl)acetamide (PubChem CID 3190087) has the molecular formula C25H28N6O3S and a molecular weight of 492.61 g/mol. Its IUPAC name is 2-[benzyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-tert-butyl-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[benzyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-tert-butyl-2-(5-methylfuran-2-yl)acetamide
• PubChem CID: 3190087
• Molecular Formula: C25H28N6O3S
• Molecular Weight: 492.61 g/mol
• Exact Mass: 492.19
• IUPAC Name: 2-[benzyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-tert-butyl-2-(5-methylfuran-2-yl)acetamide
• SMILES: Cc1ccc(C(C(=O)NC(C)(C)C)N(Cc2ccccc2)C(=O)Cn2nnc(-c3cccs3)n2)o1
• InChI: InChI=1S/C25H28N6O3S/c1-17-12-13-19(34-17)22(24(33)26-25(2,3)4)30(15-18-9-6-5-7-10-18)21(32)16-31-28-23(27-29-31)20-11-8-14-35-20/h5-14,22H,15-16H2,1-4H3,(H,26,33)
• InChIKey: YHBWGYGRLJSFFY-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 106.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.61
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-tert-butyl-2-(5-methylfuran-2-yl)acetamide?

The IUPAC name of 2-[benzyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-tert-butyl-2-(5-methylfuran-2-yl)acetamide (CID 3190087) is 2-[benzyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-tert-butyl-2-(5-methylfuran-2-yl)acetamide.

What is the SMILES notation for 2-[benzyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-tert-butyl-2-(5-methylfuran-2-yl)acetamide?

The canonical SMILES for 2-[benzyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-tert-butyl-2-(5-methylfuran-2-yl)acetamide is Cc1ccc(C(C(=O)NC(C)(C)C)N(Cc2ccccc2)C(=O)Cn2nnc(-c3cccs3)n2)o1.

What is the InChIKey of 2-[benzyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-tert-butyl-2-(5-methylfuran-2-yl)acetamide?

The InChIKey is YHBWGYGRLJSFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3S/c1-17-12-13-19(34-17)22(24(33)26-25(2,3)4)30(15-18-9-6-5-7-10-18)21(32)16-31-28-23(27-29-31)20-11-8-14-35-20/h5-14,22H,15-16H2,1-4H3,(H,26,33).

What are the key properties of 2-[benzyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-tert-butyl-2-(5-methylfuran-2-yl)acetamide?

2-[benzyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-tert-butyl-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 492.61 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[benzyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-tert-butyl-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 3190087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).