N-tert-butyl-2-(4-ethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide

C26H30N6O4S — CID 3179227

About N-tert-butyl-2-(4-ethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide

N-tert-butyl-2-(4-ethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide (PubChem CID 3179227) has the molecular formula C26H30N6O4S and a molecular weight of 522.63 g/mol. Its IUPAC name is N-tert-butyl-2-(4-ethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-(4-ethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide
• PubChem CID: 3179227
• Molecular Formula: C26H30N6O4S
• Molecular Weight: 522.63 g/mol
• Exact Mass: 522.20
• IUPAC Name: N-tert-butyl-2-(4-ethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide
• SMILES: CCOc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)C(C(=O)NC(C)(C)C)c2cccs2)cc1
• InChI: InChI=1S/C26H30N6O4S/c1-6-35-19-12-10-18(11-13-19)32(23(21-8-7-15-37-21)25(34)27-26(3,4)5)22(33)16-31-29-24(28-30-31)20-14-9-17(2)36-20/h7-15,23H,6,16H2,1-5H3,(H,27,34)
• InChIKey: OTZCIUXKWFJGMH-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 115.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.63
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-ethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide?

The IUPAC name of N-tert-butyl-2-(4-ethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide (CID 3179227) is N-tert-butyl-2-(4-ethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide.

What is the SMILES notation for N-tert-butyl-2-(4-ethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide?

The canonical SMILES for N-tert-butyl-2-(4-ethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide is CCOc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)C(C(=O)NC(C)(C)C)c2cccs2)cc1.

What is the InChIKey of N-tert-butyl-2-(4-ethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide?

The InChIKey is OTZCIUXKWFJGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4S/c1-6-35-19-12-10-18(11-13-19)32(23(21-8-7-15-37-21)25(34)27-26(3,4)5)22(33)16-31-29-24(28-30-31)20-14-9-17(2)36-20/h7-15,23H,6,16H2,1-5H3,(H,27,34).

What are the key properties of N-tert-butyl-2-(4-ethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide?

N-tert-butyl-2-(4-ethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide has a molecular weight of 522.63 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-(4-ethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 3179227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).