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

C124H128N12O18S6 — CID 167575549

IUPACN-(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;tris(2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide)
SMILESCCCCc1ccc2nc(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.Cc1ccc2nc(NC(=O)COc3cccc4c3OC(C)(C)C4)sc2c1.Cc1cccc2sc(NC(=O)COc3cccc4c3OC(C)(C)C4)nc12
InChIInChI=1S/C23H26N2O3S.C21H22N2O3S.4C20H20N2O3S/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;3*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);4*4-9H,10-11H2,1-3H3,(H,21,22,23)
InChIKeyGMBFWEHVIAUKCO-UHFFFAOYSA-N
MW2266.86 g/mol
LogP27.36
Rot. Bonds27

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;tris(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;tris(2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide) (PubChem CID 167575549) has the molecular formula C124H128N12O18S6 and a molecular weight of 2266.86 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;tris(2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide).

Molecular Properties

Compound NameN-(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;tris(2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide)
PubChem CID167575549
Molecular FormulaC124H128N12O18S6
Molecular Weight2266.86 g/mol
Exact Mass2264.78
IUPAC NameN-(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;tris(2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide)
SMILESCCCCc1ccc2nc(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.Cc1ccc2nc(NC(=O)COc3cccc4c3OC(C)(C)C4)sc2c1.Cc1cccc2sc(NC(=O)COc3cccc4c3OC(C)(C)C4)nc12
InChIInChI=1S/C23H26N2O3S.C21H22N2O3S.4C20H20N2O3S/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;3*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);4*4-9H,10-11H2,1-3H3,(H,21,22,23)
InChIKeyGMBFWEHVIAUKCO-UHFFFAOYSA-N
XLogP27.36
TPSA362.70 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds27
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002266.86
LogP ≤ 527.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze 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;tris(2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;tris(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;tris(2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide) (CID 167575549) 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;tris(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;tris(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;tris(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.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;tris(2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide)?
The InChIKey is GMBFWEHVIAUKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S.C21H22N2O3S.4C20H20N2O3S/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;3*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);4*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;tris(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;tris(2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide) has a molecular weight of 2266.86 g/mol, XLogP of 27.36, 27 rotatable bonds, 6 hydrogen bond donors, and 30 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;tris(2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide) is sourced from PubChem (CID 167575549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).