N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-fluoro-6-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)

C120H118F2N12O18S6 — CID 167568467

About N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-fluoro-6-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-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-fluoro-6-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 167568467) has the molecular formula C120H118F2N12O18S6 and a molecular weight of 2246.73 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-fluoro-6-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-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-fluoro-6-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: 167568467
• Molecular Formula: C120H118F2N12O18S6
• Molecular Weight: 2246.73 g/mol
• Exact Mass: 2244.70
• IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-fluoro-6-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: CC1(C)Cc2cccc(OCC(=O)Nc3nc4ccccc4s3)c2O1.CCN(C(=O)COc1cccc2c1OC(C)(C)C2)c1nc2ccccc2s1.Cc1cc(F)c2nc(NC(=O)COc3cccc4c3OC(C)(C)C4)sc2c1.Cc1cc2sc(NC(=O)COc3cccc4c3OC(C)(C)C4)nc2cc1F.Cc1ccc2nc(NC(=O)COc3cccc4c3OC(C)(C)C4)sc2c1.Cc1ccc2nc(NC(=O)COc3cccc4c3OC(C)(C)C4)sc2c1
• InChI: InChI=1S/C21H22N2O3S.2C20H19FN2O3S.2C20H20N2O3S.C19H18N2O3S/c1-4-23(20-22-15-9-5-6-11-17(15)27-20)18(24)13-25-16-10-7-8-14-12-21(2,3)26-19(14)16;1-11-7-16-14(8-13(11)21)22-19(27-16)23-17(24)10-25-15-6-4-5-12-9-20(2,3)26-18(12)15;1-11-7-13(21)17-15(8-11)27-19(23-17)22-16(24)10-25-14-6-4-5-12-9-20(2,3)26-18(12)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;1-19(2)10-12-6-5-8-14(17(12)24-19)23-11-16(22)21-18-20-13-7-3-4-9-15(13)25-18/h5-11H,4,12-13H2,1-3H3;2*4-8H,9-10H2,1-3H3,(H,22,23,24);2*4-9H,10-11H2,1-3H3,(H,21,22,23);3-9H,10-11H2,1-2H3,(H,20,21,22)
• InChIKey: FOYPSRJLFMJRHK-UHFFFAOYSA-N
• XLogP: 26.09
• TPSA: 353.91 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2246.73
LogP ≤ 5	26.09
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-fluoro-6-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-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-fluoro-6-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 167568467) is N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-fluoro-6-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-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-fluoro-6-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-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-fluoro-6-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 CC1(C)Cc2cccc(OCC(=O)Nc3nc4ccccc4s3)c2O1.CCN(C(=O)COc1cccc2c1OC(C)(C)C2)c1nc2ccccc2s1.Cc1cc(F)c2nc(NC(=O)COc3cccc4c3OC(C)(C)C4)sc2c1.Cc1cc2sc(NC(=O)COc3cccc4c3OC(C)(C)C4)nc2cc1F.Cc1ccc2nc(NC(=O)COc3cccc4c3OC(C)(C)C4)sc2c1.Cc1ccc2nc(NC(=O)COc3cccc4c3OC(C)(C)C4)sc2c1.

What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-fluoro-6-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 FOYPSRJLFMJRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S.2C20H19FN2O3S.2C20H20N2O3S.C19H18N2O3S/c1-4-23(20-22-15-9-5-6-11-17(15)27-20)18(24)13-25-16-10-7-8-14-12-21(2,3)26-19(14)16;1-11-7-16-14(8-13(11)21)22-19(27-16)23-17(24)10-25-15-6-4-5-12-9-20(2,3)26-18(12)15;1-11-7-13(21)17-15(8-11)27-19(23-17)22-16(24)10-25-14-6-4-5-12-9-20(2,3)26-18(12)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;1-19(2)10-12-6-5-8-14(17(12)24-19)23-11-16(22)21-18-20-13-7-3-4-9-15(13)25-18/h5-11H,4,12-13H2,1-3H3;2*4-8H,9-10H2,1-3H3,(H,22,23,24);2*4-9H,10-11H2,1-3H3,(H,21,22,23);3-9H,10-11H2,1-2H3,(H,20,21,22).

What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-fluoro-6-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-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-fluoro-6-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 2246.73 g/mol, XLogP of 26.09, 25 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-fluoro-6-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 167568467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).