(2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide

C24H29ClN6O4 — CID 25447046

About (2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide

(2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide (PubChem CID 25447046) has the molecular formula C24H29ClN6O4 and a molecular weight of 500.99 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide.

Molecular Properties

• Compound Name: (2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide
• PubChem CID: 25447046
• Molecular Formula: C24H29ClN6O4
• Molecular Weight: 500.99 g/mol
• Exact Mass: 500.19
• IUPAC Name: (2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(CCCO)[C@@H](C(=O)NC3CCCC3)c3ccc(Cl)cc3)n2)o1
• InChI: InChI=1S/C24H29ClN6O4/c1-16-7-12-20(35-16)23-27-29-31(28-23)15-21(33)30(13-4-14-32)22(17-8-10-18(25)11-9-17)24(34)26-19-5-2-3-6-19/h7-12,19,22,32H,2-6,13-15H2,1H3,(H,26,34)/t22-/m1/s1
• InChIKey: AWODRHKYLYHHBF-JOCHJYFZSA-N
• XLogP: 2.91
• TPSA: 126.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.99
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide?

The IUPAC name of (2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide (CID 25447046) is (2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide.

What is the SMILES notation for (2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide?

The canonical SMILES for (2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide is Cc1ccc(-c2nnn(CC(=O)N(CCCO)[C@@H](C(=O)NC3CCCC3)c3ccc(Cl)cc3)n2)o1.

What is the InChIKey of (2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide?

The InChIKey is AWODRHKYLYHHBF-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H29ClN6O4/c1-16-7-12-20(35-16)23-27-29-31(28-23)15-21(33)30(13-4-14-32)22(17-8-10-18(25)11-9-17)24(34)26-19-5-2-3-6-19/h7-12,19,22,32H,2-6,13-15H2,1H3,(H,26,34)/t22-/m1/s1.

What are the key properties of (2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide?

(2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide has a molecular weight of 500.99 g/mol, XLogP of 2.91, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide is sourced from PubChem (CID 25447046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).