2-(3-fluoro-2-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide

C32H45FN2O2S — CID 57086684

About 2-(3-fluoro-2-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide

2-(3-fluoro-2-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide (PubChem CID 57086684) has the molecular formula C32H45FN2O2S and a molecular weight of 540.79 g/mol. Its IUPAC name is 2-(3-fluoro-2-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(3-fluoro-2-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide
• PubChem CID: 57086684
• Molecular Formula: C32H45FN2O2S
• Molecular Weight: 540.79 g/mol
• Exact Mass: 540.32
• IUPAC Name: 2-(3-fluoro-2-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide
• SMILES: CCCCCCCCCCCCCCOc1c(F)cccc1CC(=O)Nc1cccc(CN2C=CSC2)c1
• InChI: InChI=1S/C32H45FN2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-21-37-32-28(17-15-19-30(32)33)24-31(36)34-29-18-14-16-27(23-29)25-35-20-22-38-26-35/h14-20,22-23H,2-13,21,24-26H2,1H3,(H,34,36)
• InChIKey: RUWHUUJXBWVGIS-UHFFFAOYSA-N
• XLogP: 9.06
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 19
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.79
LogP ≤ 5	9.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide?

The IUPAC name of 2-(3-fluoro-2-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide (CID 57086684) is 2-(3-fluoro-2-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide.

What is the SMILES notation for 2-(3-fluoro-2-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide?

The canonical SMILES for 2-(3-fluoro-2-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide is CCCCCCCCCCCCCCOc1c(F)cccc1CC(=O)Nc1cccc(CN2C=CSC2)c1.

What is the InChIKey of 2-(3-fluoro-2-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide?

The InChIKey is RUWHUUJXBWVGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45FN2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-21-37-32-28(17-15-19-30(32)33)24-31(36)34-29-18-14-16-27(23-29)25-35-20-22-38-26-35/h14-20,22-23H,2-13,21,24-26H2,1H3,(H,34,36).

What are the key properties of 2-(3-fluoro-2-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide?

2-(3-fluoro-2-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide has a molecular weight of 540.79 g/mol, XLogP of 9.06, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-fluoro-2-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 57086684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).