(2R)-2-(4-chloro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentyl-2-(furan-2-yl)acetamide

C25H25ClN6O4 — CID 25448389

About (2R)-2-(4-chloro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentyl-2-(furan-2-yl)acetamide

(2R)-2-(4-chloro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentyl-2-(furan-2-yl)acetamide (PubChem CID 25448389) has the molecular formula C25H25ClN6O4 and a molecular weight of 508.97 g/mol. Its IUPAC name is (2R)-2-(4-chloro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentyl-2-(furan-2-yl)acetamide.

Molecular Properties

• Compound Name: (2R)-2-(4-chloro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentyl-2-(furan-2-yl)acetamide
• PubChem CID: 25448389
• Molecular Formula: C25H25ClN6O4
• Molecular Weight: 508.97 g/mol
• Exact Mass: 508.16
• IUPAC Name: (2R)-2-(4-chloro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentyl-2-(furan-2-yl)acetamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(c3ccc(Cl)cc3)[C@@H](C(=O)NC3CCCC3)c3ccco3)n2)o1
• InChI: InChI=1S/C25H25ClN6O4/c1-16-8-13-21(36-16)24-28-30-31(29-24)15-22(33)32(19-11-9-17(26)10-12-19)23(20-7-4-14-35-20)25(34)27-18-5-2-3-6-18/h4,7-14,18,23H,2-3,5-6,15H2,1H3,(H,27,34)/t23-/m1/s1
• InChIKey: SFMQQEZKQPFTRY-HSZRJFAPSA-N
• XLogP: 4.32
• TPSA: 119.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.97
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentyl-2-(furan-2-yl)acetamide?

The IUPAC name of (2R)-2-(4-chloro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentyl-2-(furan-2-yl)acetamide (CID 25448389) is (2R)-2-(4-chloro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentyl-2-(furan-2-yl)acetamide.

What is the SMILES notation for (2R)-2-(4-chloro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentyl-2-(furan-2-yl)acetamide?

The canonical SMILES for (2R)-2-(4-chloro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentyl-2-(furan-2-yl)acetamide is Cc1ccc(-c2nnn(CC(=O)N(c3ccc(Cl)cc3)[C@@H](C(=O)NC3CCCC3)c3ccco3)n2)o1.

What is the InChIKey of (2R)-2-(4-chloro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentyl-2-(furan-2-yl)acetamide?

The InChIKey is SFMQQEZKQPFTRY-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H25ClN6O4/c1-16-8-13-21(36-16)24-28-30-31(29-24)15-22(33)32(19-11-9-17(26)10-12-19)23(20-7-4-14-35-20)25(34)27-18-5-2-3-6-18/h4,7-14,18,23H,2-3,5-6,15H2,1H3,(H,27,34)/t23-/m1/s1.

What are the key properties of (2R)-2-(4-chloro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentyl-2-(furan-2-yl)acetamide?

(2R)-2-(4-chloro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentyl-2-(furan-2-yl)acetamide has a molecular weight of 508.97 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(4-chloro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentyl-2-(furan-2-yl)acetamide is sourced from PubChem (CID 25448389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).