2,6-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]benzamide

C21H14F2N2O2S — CID 11639836

About 2,6-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]benzamide

2,6-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]benzamide (PubChem CID 11639836) has the molecular formula C21H14F2N2O2S and a molecular weight of 396.42 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]benzamide.

Molecular Properties

• Compound Name: 2,6-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]benzamide
• PubChem CID: 11639836
• Molecular Formula: C21H14F2N2O2S
• Molecular Weight: 396.42 g/mol
• Exact Mass: 396.07
• IUPAC Name: 2,6-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]benzamide
• SMILES: Cc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)s1
• InChI: InChI=1S/C21H14F2N2O2S/c1-12-5-6-13(21-24-9-10-27-21)11-14(12)17-7-8-18(28-17)25-20(26)19-15(22)3-2-4-16(19)23/h2-11H,1H3,(H,25,26)
• InChIKey: RMTLHQQETULZDK-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	396.42
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]benzamide?

The IUPAC name of 2,6-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]benzamide (CID 11639836) is 2,6-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]benzamide.

What is the SMILES notation for 2,6-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]benzamide?

The canonical SMILES for 2,6-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]benzamide is Cc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)s1.

What is the InChIKey of 2,6-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]benzamide?

The InChIKey is RMTLHQQETULZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2O2S/c1-12-5-6-13(21-24-9-10-27-21)11-14(12)17-7-8-18(28-17)25-20(26)19-15(22)3-2-4-16(19)23/h2-11H,1H3,(H,25,26).

What are the key properties of 2,6-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]benzamide?

2,6-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]benzamide has a molecular weight of 396.42 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]benzamide is sourced from PubChem (CID 11639836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).