N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide

C23H21FN2O2S — CID 41362982

About N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 41362982) has the molecular formula C23H21FN2O2S and a molecular weight of 408.50 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide
• PubChem CID: 41362982
• Molecular Formula: C23H21FN2O2S
• Molecular Weight: 408.50 g/mol
• Exact Mass: 408.13
• IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide
• SMILES: CC(C)c1ccc(CC(=O)N(Cc2ccco2)c2nc3ccc(F)cc3s2)cc1
• InChI: InChI=1S/C23H21FN2O2S/c1-15(2)17-7-5-16(6-8-17)12-22(27)26(14-19-4-3-11-28-19)23-25-20-10-9-18(24)13-21(20)29-23/h3-11,13,15H,12,14H2,1-2H3
• InChIKey: SLRRROCXUCTYRL-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 46.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.50
LogP ≤ 5	5.93
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-(4-propan-2-ylphenyl)acetamide?

The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide (CID 41362982) is N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide.

What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide?

The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(CC(=O)N(Cc2ccco2)c2nc3ccc(F)cc3s2)cc1.

What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide?

The InChIKey is SLRRROCXUCTYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2S/c1-15(2)17-7-5-16(6-8-17)12-22(27)26(14-19-4-3-11-28-19)23-25-20-10-9-18(24)13-21(20)29-23/h3-11,13,15H,12,14H2,1-2H3.

What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide?

N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 408.50 g/mol, XLogP of 5.93, 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-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 41362982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).