(2S)-2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide

C26H31ClN6O4 — CID 25448511

About (2S)-2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide

(2S)-2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide (PubChem CID 25448511) has the molecular formula C26H31ClN6O4 and a molecular weight of 527.03 g/mol. Its IUPAC name is (2S)-2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

• Compound Name: (2S)-2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
• PubChem CID: 25448511
• Molecular Formula: C26H31ClN6O4
• Molecular Weight: 527.03 g/mol
• Exact Mass: 526.21
• IUPAC Name: (2S)-2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
• SMILES: Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)o1
• InChI: InChI=1S/C26H31ClN6O4/c1-17-8-13-22(37-17)24(26(35)28-20-5-2-3-6-20)32(15-21-7-4-14-36-21)23(34)16-33-30-25(29-31-33)18-9-11-19(27)12-10-18/h8-13,20-21,24H,2-7,14-16H2,1H3,(H,28,35)/t21-,24-/m0/s1
• InChIKey: YZYURWLEXNBFJG-URXFXBBRSA-N
• XLogP: 3.70
• TPSA: 115.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.03
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (2S)-2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide (CID 25448511) is (2S)-2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide.

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

The canonical SMILES for (2S)-2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide is Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)o1.

What is the InChIKey of (2S)-2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide?

The InChIKey is YZYURWLEXNBFJG-URXFXBBRSA-N. The full InChI is InChI=1S/C26H31ClN6O4/c1-17-8-13-22(37-17)24(26(35)28-20-5-2-3-6-20)32(15-21-7-4-14-36-21)23(34)16-33-30-25(29-31-33)18-9-11-19(27)12-10-18/h8-13,20-21,24H,2-7,14-16H2,1H3,(H,28,35)/t21-,24-/m0/s1.

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

(2S)-2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 527.03 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 25448511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).