N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide

C26H19FN2O2S — CID 30707861

About N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide (PubChem CID 30707861) has the molecular formula C26H19FN2O2S and a molecular weight of 442.52 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide.

Molecular Properties

• Compound Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide
• PubChem CID: 30707861
• Molecular Formula: C26H19FN2O2S
• Molecular Weight: 442.52 g/mol
• Exact Mass: 442.12
• IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide
• SMILES: O=C(C(c1ccccc1)c1ccccc1)N(Cc1ccco1)c1nc2ccc(F)cc2s1
• InChI: InChI=1S/C26H19FN2O2S/c27-20-13-14-22-23(16-20)32-26(28-22)29(17-21-12-7-15-31-21)25(30)24(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-16,24H,17H2
• InChIKey: DODSDDYFQZBKHK-UHFFFAOYSA-N
• XLogP: 6.39
• TPSA: 46.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.52
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide?

The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide (CID 30707861) is N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide.

What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide?

The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide is O=C(C(c1ccccc1)c1ccccc1)N(Cc1ccco1)c1nc2ccc(F)cc2s1.

What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide?

The InChIKey is DODSDDYFQZBKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN2O2S/c27-20-13-14-22-23(16-20)32-26(28-22)29(17-21-12-7-15-31-21)25(30)24(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-16,24H,17H2.

What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide?

N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide has a molecular weight of 442.52 g/mol, XLogP of 6.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide is sourced from PubChem (CID 30707861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).