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

C25H28N6O3S — CID 3179196

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

N-tert-butyl-2-(2-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide (PubChem CID 3179196) has the molecular formula C25H28N6O3S and a molecular weight of 492.61 g/mol. Its IUPAC name is N-tert-butyl-2-(2-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-(2-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide
• PubChem CID: 3179196
• Molecular Formula: C25H28N6O3S
• Molecular Weight: 492.61 g/mol
• Exact Mass: 492.19
• IUPAC Name: N-tert-butyl-2-(2-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3C)C(C(=O)NC(C)(C)C)c3cccs3)n2)o1
• InChI: InChI=1S/C25H28N6O3S/c1-16-9-6-7-10-18(16)31(22(20-11-8-14-35-20)24(33)26-25(3,4)5)21(32)15-30-28-23(27-29-30)19-13-12-17(2)34-19/h6-14,22H,15H2,1-5H3,(H,26,33)
• InChIKey: LVXIXGLGNHTNML-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 106.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.61
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-tert-butyl-2-(2-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide (CID 3179196) is N-tert-butyl-2-(2-methyl-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-(2-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide?

The canonical SMILES for N-tert-butyl-2-(2-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide is Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3C)C(C(=O)NC(C)(C)C)c3cccs3)n2)o1.

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

The InChIKey is LVXIXGLGNHTNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3S/c1-16-9-6-7-10-18(16)31(22(20-11-8-14-35-20)24(33)26-25(3,4)5)21(32)15-30-28-23(27-29-30)19-13-12-17(2)34-19/h6-14,22H,15H2,1-5H3,(H,26,33).

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

N-tert-butyl-2-(2-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide has a molecular weight of 492.61 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-(2-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 3179196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).