Methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-3-thiophen-2-ylpropanoate

C₁₆H₁₆FNO₃S — CID 47019230

About Methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-3-thiophen-2-ylpropanoate

Methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-3-thiophen-2-ylpropanoate (PubChem CID 47019230) has the molecular formula C₁₆H₁₆FNO₃S and a molecular weight of 321.37 g/mol. Its IUPAC name is methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-3-thiophen-2-ylpropanoate.

Molecular Properties

• Compound Name: Methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-3-thiophen-2-ylpropanoate
• PubChem CID: 47019230
• Molecular Formula: C₁₆H₁₆FNO₃S
• Molecular Weight: 321.37 g/mol
• Exact Mass: 321.08
• IUPAC Name: methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-3-thiophen-2-ylpropanoate
• SMILES: COC(=O)CC(NC(=O)Cc1ccc(F)cc1)c1cccs1
• InChI: InChI=1S/C16H16FNO3S/c1-21-16(20)10-13(14-3-2-8-22-14)18-15(19)9-11-4-6-12(17)7-5-11/h2-8,13H,9-10H2,1H3,(H,18,19)
• InChIKey: APKPLEWPZCFCCM-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 55.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	321.37
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-3-thiophen-2-ylpropanoate?

The IUPAC name of Methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-3-thiophen-2-ylpropanoate (CID 47019230) is methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-3-thiophen-2-ylpropanoate.

What is the SMILES notation for Methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-3-thiophen-2-ylpropanoate?

The canonical SMILES for Methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-3-thiophen-2-ylpropanoate is COC(=O)CC(NC(=O)Cc1ccc(F)cc1)c1cccs1.

What is the InChIKey of Methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-3-thiophen-2-ylpropanoate?

The InChIKey is APKPLEWPZCFCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3S/c1-21-16(20)10-13(14-3-2-8-22-14)18-15(19)9-11-4-6-12(17)7-5-11/h2-8,13H,9-10H2,1H3,(H,18,19).

What are the key properties of Methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-3-thiophen-2-ylpropanoate?

Methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-3-thiophen-2-ylpropanoate has a molecular weight of 321.37 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 47019230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 47019230 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.