N-tert-butyl-2-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide

C24H35N7O3S — CID 3174667

About N-tert-butyl-2-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide

N-tert-butyl-2-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide (PubChem CID 3174667) has the molecular formula C24H35N7O3S and a molecular weight of 501.66 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide
• PubChem CID: 3174667
• Molecular Formula: C24H35N7O3S
• Molecular Weight: 501.66 g/mol
• Exact Mass: 501.25
• IUPAC Name: N-tert-butyl-2-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide
• SMILES: CCN(CC)CCN(C(=O)Cn1nnc(-c2ccc(C)o2)n1)C(C(=O)NC(C)(C)C)c1cccs1
• InChI: InChI=1S/C24H35N7O3S/c1-7-29(8-2)13-14-30(21(19-10-9-15-35-19)23(33)25-24(4,5)6)20(32)16-31-27-22(26-28-31)18-12-11-17(3)34-18/h9-12,15,21H,7-8,13-14,16H2,1-6H3,(H,25,33)
• InChIKey: RGCUORFGFABYSJ-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 109.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.66
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide?

The IUPAC name of N-tert-butyl-2-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide (CID 3174667) is N-tert-butyl-2-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide.

What is the SMILES notation for N-tert-butyl-2-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide?

The canonical SMILES for N-tert-butyl-2-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide is CCN(CC)CCN(C(=O)Cn1nnc(-c2ccc(C)o2)n1)C(C(=O)NC(C)(C)C)c1cccs1.

What is the InChIKey of N-tert-butyl-2-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide?

The InChIKey is RGCUORFGFABYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N7O3S/c1-7-29(8-2)13-14-30(21(19-10-9-15-35-19)23(33)25-24(4,5)6)20(32)16-31-27-22(26-28-31)18-12-11-17(3)34-18/h9-12,15,21H,7-8,13-14,16H2,1-6H3,(H,25,33).

What are the key properties of N-tert-butyl-2-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide?

N-tert-butyl-2-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide has a molecular weight of 501.66 g/mol, XLogP of 3.13, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 3174667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).