(2R)-N-tert-butyl-2-(4-hydroxyphenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide

C25H28N6O4S — CID 25310586

About (2R)-N-tert-butyl-2-(4-hydroxyphenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide

(2R)-N-tert-butyl-2-(4-hydroxyphenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 25310586) has the molecular formula C25H28N6O4S and a molecular weight of 508.60 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-(4-hydroxyphenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

• Compound Name: (2R)-N-tert-butyl-2-(4-hydroxyphenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide
• PubChem CID: 25310586
• Molecular Formula: C25H28N6O4S
• Molecular Weight: 508.60 g/mol
• Exact Mass: 508.19
• IUPAC Name: (2R)-N-tert-butyl-2-(4-hydroxyphenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@@H](C(=O)NC(C)(C)C)c3ccc(O)cc3)n2)o1
• InChI: InChI=1S/C25H28N6O4S/c1-16-7-12-20(35-16)23-27-29-31(28-23)15-21(33)30(14-19-6-5-13-36-19)22(24(34)26-25(2,3)4)17-8-10-18(32)11-9-17/h5-13,22,32H,14-15H2,1-4H3,(H,26,34)/t22-/m1/s1
• InChIKey: AMGVTBLNSHQPLS-JOCHJYFZSA-N
• XLogP: 3.69
• TPSA: 126.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.60
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-(4-hydroxyphenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide?

The IUPAC name of (2R)-N-tert-butyl-2-(4-hydroxyphenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide (CID 25310586) is (2R)-N-tert-butyl-2-(4-hydroxyphenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide.

What is the SMILES notation for (2R)-N-tert-butyl-2-(4-hydroxyphenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide?

The canonical SMILES for (2R)-N-tert-butyl-2-(4-hydroxyphenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide is Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@@H](C(=O)NC(C)(C)C)c3ccc(O)cc3)n2)o1.

What is the InChIKey of (2R)-N-tert-butyl-2-(4-hydroxyphenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide?

The InChIKey is AMGVTBLNSHQPLS-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H28N6O4S/c1-16-7-12-20(35-16)23-27-29-31(28-23)15-21(33)30(14-19-6-5-13-36-19)22(24(34)26-25(2,3)4)17-8-10-18(32)11-9-17/h5-13,22,32H,14-15H2,1-4H3,(H,26,34)/t22-/m1/s1.

What are the key properties of (2R)-N-tert-butyl-2-(4-hydroxyphenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide?

(2R)-N-tert-butyl-2-(4-hydroxyphenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 508.60 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-tert-butyl-2-(4-hydroxyphenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 25310586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).