N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)acetamide

C22H18F2N2O2S — CID 30708932

About N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)acetamide

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 30708932) has the molecular formula C22H18F2N2O2S and a molecular weight of 412.46 g/mol. Its IUPAC name is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)acetamide
• PubChem CID: 30708932
• Molecular Formula: C22H18F2N2O2S
• Molecular Weight: 412.46 g/mol
• Exact Mass: 412.11
• IUPAC Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)acetamide
• SMILES: Cc1ccc(CC(=O)N(Cc2ccco2)c2nc3c(F)cc(F)cc3s2)c(C)c1
• InChI: InChI=1S/C22H18F2N2O2S/c1-13-5-6-15(14(2)8-13)9-20(27)26(12-17-4-3-7-28-17)22-25-21-18(24)10-16(23)11-19(21)29-22/h3-8,10-11H,9,12H2,1-2H3
• InChIKey: CDUUYIFLFLZBJZ-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 46.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.46
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)acetamide?

The IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)acetamide (CID 30708932) is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)acetamide.

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

The canonical SMILES for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)acetamide is Cc1ccc(CC(=O)N(Cc2ccco2)c2nc3c(F)cc(F)cc3s2)c(C)c1.

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

The InChIKey is CDUUYIFLFLZBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O2S/c1-13-5-6-15(14(2)8-13)9-20(27)26(12-17-4-3-7-28-17)22-25-21-18(24)10-16(23)11-19(21)29-22/h3-8,10-11H,9,12H2,1-2H3.

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

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 412.46 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 30708932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).