(2R)-N-cyclopentyl-2-(furan-2-yl)-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide

C26H28N6O5 — CID 25448437

About (2R)-N-cyclopentyl-2-(furan-2-yl)-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide

(2R)-N-cyclopentyl-2-(furan-2-yl)-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide (PubChem CID 25448437) has the molecular formula C26H28N6O5 and a molecular weight of 504.55 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-(furan-2-yl)-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide.

Molecular Properties

• Compound Name: (2R)-N-cyclopentyl-2-(furan-2-yl)-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide
• PubChem CID: 25448437
• Molecular Formula: C26H28N6O5
• Molecular Weight: 504.55 g/mol
• Exact Mass: 504.21
• IUPAC Name: (2R)-N-cyclopentyl-2-(furan-2-yl)-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide
• SMILES: COc1cccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@@H](C(=O)NC2CCCC2)c2ccco2)c1
• InChI: InChI=1S/C26H28N6O5/c1-17-12-13-22(37-17)25-28-30-31(29-25)16-23(33)32(19-9-5-10-20(15-19)35-2)24(21-11-6-14-36-21)26(34)27-18-7-3-4-8-18/h5-6,9-15,18,24H,3-4,7-8,16H2,1-2H3,(H,27,34)/t24-/m1/s1
• InChIKey: XLESCXUSGBMOFB-XMMPIXPASA-N
• XLogP: 3.68
• TPSA: 128.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.55
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-(furan-2-yl)-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide?

The IUPAC name of (2R)-N-cyclopentyl-2-(furan-2-yl)-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide (CID 25448437) is (2R)-N-cyclopentyl-2-(furan-2-yl)-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide.

What is the SMILES notation for (2R)-N-cyclopentyl-2-(furan-2-yl)-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide?

The canonical SMILES for (2R)-N-cyclopentyl-2-(furan-2-yl)-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide is COc1cccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@@H](C(=O)NC2CCCC2)c2ccco2)c1.

What is the InChIKey of (2R)-N-cyclopentyl-2-(furan-2-yl)-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide?

The InChIKey is XLESCXUSGBMOFB-XMMPIXPASA-N. The full InChI is InChI=1S/C26H28N6O5/c1-17-12-13-22(37-17)25-28-30-31(29-25)16-23(33)32(19-9-5-10-20(15-19)35-2)24(21-11-6-14-36-21)26(34)27-18-7-3-4-8-18/h5-6,9-15,18,24H,3-4,7-8,16H2,1-2H3,(H,27,34)/t24-/m1/s1.

What are the key properties of (2R)-N-cyclopentyl-2-(furan-2-yl)-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide?

(2R)-N-cyclopentyl-2-(furan-2-yl)-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide has a molecular weight of 504.55 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-cyclopentyl-2-(furan-2-yl)-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide is sourced from PubChem (CID 25448437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).