(2S)-N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide

C27H26F2N6O3 — CID 25448706

About (2S)-N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide

(2S)-N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide (PubChem CID 25448706) has the molecular formula C27H26F2N6O3 and a molecular weight of 520.54 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

• Compound Name: (2S)-N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide
• PubChem CID: 25448706
• Molecular Formula: C27H26F2N6O3
• Molecular Weight: 520.54 g/mol
• Exact Mass: 520.20
• IUPAC Name: (2S)-N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide
• SMILES: Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)c2ccc(F)cc2)o1
• InChI: InChI=1S/C27H26F2N6O3/c1-17-6-15-23(38-17)25(27(37)30-21-4-2-3-5-21)35(22-13-11-20(29)12-14-22)24(36)16-34-32-26(31-33-34)18-7-9-19(28)10-8-18/h6-15,21,25H,2-5,16H2,1H3,(H,30,37)/t25-/m0/s1
• InChIKey: NPEQDHYXQOTMIO-VWLOTQADSA-N
• XLogP: 4.35
• TPSA: 106.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.54
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide?

The IUPAC name of (2S)-N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide (CID 25448706) is (2S)-N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide.

What is the SMILES notation for (2S)-N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide?

The canonical SMILES for (2S)-N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide is Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)c2ccc(F)cc2)o1.

What is the InChIKey of (2S)-N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide?

The InChIKey is NPEQDHYXQOTMIO-VWLOTQADSA-N. The full InChI is InChI=1S/C27H26F2N6O3/c1-17-6-15-23(38-17)25(27(37)30-21-4-2-3-5-21)35(22-13-11-20(29)12-14-22)24(36)16-34-32-26(31-33-34)18-7-9-19(28)10-8-18/h6-15,21,25H,2-5,16H2,1H3,(H,30,37)/t25-/m0/s1.

What are the key properties of (2S)-N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide?

(2S)-N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 520.54 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 25448706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).