(2R)-N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide

C25H26N6O4S — CID 25449186

About (2R)-N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide

(2R)-N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide (PubChem CID 25449186) has the molecular formula C25H26N6O4S and a molecular weight of 506.59 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: (2R)-N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide
• PubChem CID: 25449186
• Molecular Formula: C25H26N6O4S
• Molecular Weight: 506.59 g/mol
• Exact Mass: 506.17
• IUPAC Name: (2R)-N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)[C@H](C(=O)NC3CCCC3)c3cccs3)n2)o1
• InChI: InChI=1S/C25H26N6O4S/c1-16-11-12-20(35-16)24-27-29-30(28-24)15-22(33)31(18-8-4-9-19(32)14-18)23(21-10-5-13-36-21)25(34)26-17-6-2-3-7-17/h4-5,8-14,17,23,32H,2-3,6-7,15H2,1H3,(H,26,34)/t23-/m0/s1
• InChIKey: UZHABHLCFONJEJ-QHCPKHFHSA-N
• XLogP: 3.84
• 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	506.59
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide?

The IUPAC name of (2R)-N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide (CID 25449186) is (2R)-N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide.

What is the SMILES notation for (2R)-N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide?

The canonical SMILES for (2R)-N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide is Cc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)[C@H](C(=O)NC3CCCC3)c3cccs3)n2)o1.

What is the InChIKey of (2R)-N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide?

The InChIKey is UZHABHLCFONJEJ-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H26N6O4S/c1-16-11-12-20(35-16)24-27-29-30(28-24)15-22(33)31(18-8-4-9-19(32)14-18)23(21-10-5-13-36-21)25(34)26-17-6-2-3-7-17/h4-5,8-14,17,23,32H,2-3,6-7,15H2,1H3,(H,26,34)/t23-/m0/s1.

What are the key properties of (2R)-N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide?

(2R)-N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide has a molecular weight of 506.59 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 25449186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).