N-(6-butyl-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;bis(2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide)

C104H108N10O15S5 — CID 167657470

About N-(6-butyl-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;bis(2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide)

N-(6-butyl-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;bis(2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide) (PubChem CID 167657470) has the molecular formula C104H108N10O15S5 and a molecular weight of 1898.40 g/mol. Its IUPAC name is N-(6-butyl-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;bis(2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide).

Molecular Properties

• Compound Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;bis(2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide)
• PubChem CID: 167657470
• Molecular Formula: C104H108N10O15S5
• Molecular Weight: 1898.40 g/mol
• Exact Mass: 1896.66
• IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;bis(2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide)
• SMILES: CCCCc1ccc2nc(NC(=O)COc3cccc4c3OC(C)(C)C4)sc2c1.Cc1cc(C)c2nc(NC(=O)COc3cccc4c3OC(C)(C)C4)sc2c1.Cc1ccc2nc(NC(=O)COc3cccc4c3OC(C)(C)C4)sc2c1.Cc1ccc2nc(NC(=O)COc3cccc4c3OC(C)(C)C4)sc2c1.Cc1cccc2sc(NC(=O)COc3cccc4c3OC(C)(C)C4)nc12
• InChI: InChI=1S/C23H26N2O3S.C21H22N2O3S.3C20H20N2O3S/c1-4-5-7-15-10-11-17-19(12-15)29-22(24-17)25-20(26)14-27-18-9-6-8-16-13-23(2,3)28-21(16)18;1-12-8-13(2)18-16(9-12)27-20(23-18)22-17(24)11-25-15-7-5-6-14-10-21(3,4)26-19(14)15;1-12-6-4-9-15-17(12)22-19(26-15)21-16(23)11-24-14-8-5-7-13-10-20(2,3)25-18(13)14;2*1-12-7-8-14-16(9-12)26-19(21-14)22-17(23)11-24-15-6-4-5-13-10-20(2,3)25-18(13)15/h6,8-12H,4-5,7,13-14H2,1-3H3,(H,24,25,26);5-9H,10-11H2,1-4H3,(H,22,23,24);3*4-9H,10-11H2,1-3H3,(H,21,22,23)
• InChIKey: RLVQKLGDEWTJES-UHFFFAOYSA-N
• XLogP: 23.02
• TPSA: 302.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 23
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1898.40
LogP ≤ 5	23.02
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-(6-butyl-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;bis(2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide)?

The IUPAC name of N-(6-butyl-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;bis(2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide) (CID 167657470) is N-(6-butyl-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;bis(2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide).

What is the SMILES notation for N-(6-butyl-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;bis(2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide)?

The canonical SMILES for N-(6-butyl-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;bis(2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide) is CCCCc1ccc2nc(NC(=O)COc3cccc4c3OC(C)(C)C4)sc2c1.Cc1cc(C)c2nc(NC(=O)COc3cccc4c3OC(C)(C)C4)sc2c1.Cc1ccc2nc(NC(=O)COc3cccc4c3OC(C)(C)C4)sc2c1.Cc1ccc2nc(NC(=O)COc3cccc4c3OC(C)(C)C4)sc2c1.Cc1cccc2sc(NC(=O)COc3cccc4c3OC(C)(C)C4)nc12.

What is the InChIKey of N-(6-butyl-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;bis(2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide)?

The InChIKey is RLVQKLGDEWTJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S.C21H22N2O3S.3C20H20N2O3S/c1-4-5-7-15-10-11-17-19(12-15)29-22(24-17)25-20(26)14-27-18-9-6-8-16-13-23(2,3)28-21(16)18;1-12-8-13(2)18-16(9-12)27-20(23-18)22-17(24)11-25-15-7-5-6-14-10-21(3,4)26-19(14)15;1-12-6-4-9-15-17(12)22-19(26-15)21-16(23)11-24-14-8-5-7-13-10-20(2,3)25-18(13)14;2*1-12-7-8-14-16(9-12)26-19(21-14)22-17(23)11-24-15-6-4-5-13-10-20(2,3)25-18(13)15/h6,8-12H,4-5,7,13-14H2,1-3H3,(H,24,25,26);5-9H,10-11H2,1-4H3,(H,22,23,24);3*4-9H,10-11H2,1-3H3,(H,21,22,23).

What are the key properties of N-(6-butyl-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;bis(2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide)?

N-(6-butyl-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;bis(2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide) has a molecular weight of 1898.40 g/mol, XLogP of 23.02, 23 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-butyl-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;bis(2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide) is sourced from PubChem (CID 167657470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).