2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide

C₁₄H₁₃F₂NO₂S — CID 31849974

About 2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide

2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide (PubChem CID 31849974) has the molecular formula C₁₄H₁₃F₂NO₂S and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide.

Molecular Properties

• Compound Name: 2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
• PubChem CID: 31849974
• Molecular Formula: C₁₄H₁₃F₂NO₂S
• Molecular Weight: 297.33 g/mol
• Exact Mass: 297.06
• IUPAC Name: 2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
• SMILES: C[C@H](NC(=O)COc1ccc(F)cc1F)c1cccs1
• InChI: InChI=1S/C14H13F2NO2S/c1-9(13-3-2-6-20-13)17-14(18)8-19-12-5-4-10(15)7-11(12)16/h2-7,9H,8H2,1H3,(H,17,18)/t9-/m0/s1
• InChIKey: ZUBPFNOAIZMACQ-VIFPVBQESA-N
• XLogP: 3.28
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	297.33
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide?

The IUPAC name of 2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide (CID 31849974) is 2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide.

What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide?

The canonical SMILES for 2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide is C[C@H](NC(=O)COc1ccc(F)cc1F)c1cccs1.

What is the InChIKey of 2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide?

The InChIKey is ZUBPFNOAIZMACQ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13F2NO2S/c1-9(13-3-2-6-20-13)17-14(18)8-19-12-5-4-10(15)7-11(12)16/h2-7,9H,8H2,1H3,(H,17,18)/t9-/m0/s1.

What are the key properties of 2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide?

2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide has a molecular weight of 297.33 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 31849974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 31849974 — identifiers, structure, computed properties (public domain)

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