2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrazin-2-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-2-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-3-ylacetamide

C104H108N14O15S5 — CID 167596180

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrazin-2-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-2-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-3-ylacetamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrazin-2-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-2-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-3-ylacetamide (PubChem CID 167596180) has the molecular formula C104H108N14O15S5 and a molecular weight of 1954.43 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrazin-2-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-2-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-3-ylacetamide.

Molecular Properties

• Compound Name: 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrazin-2-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-2-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-3-ylacetamide
• PubChem CID: 167596180
• Molecular Formula: C104H108N14O15S5
• Molecular Weight: 1954.43 g/mol
• Exact Mass: 1952.67
• IUPAC Name: 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrazin-2-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-2-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-3-ylacetamide
• SMILES: C=CCN(C(=O)COc1cccc2c1OC(C)(C)C2)c1nc(C)cs1.Cc1ccc(N(C(=O)COc2cccc3c2OC(C)(C)C3)c2nc(C)cs2)cc1.Cc1csc(N(C(=O)COc2cccc3c2OC(C)(C)C3)c2ccccn2)n1.Cc1csc(N(C(=O)COc2cccc3c2OC(C)(C)C3)c2cccnc2)n1.Cc1csc(N(C(=O)COc2cccc3c2OC(C)(C)C3)c2cnccn2)n1
• InChI: InChI=1S/C23H24N2O3S.2C21H21N3O3S.C20H20N4O3S.C19H22N2O3S/c1-15-8-10-18(11-9-15)25(22-24-16(2)14-29-22)20(26)13-27-19-7-5-6-17-12-23(3,4)28-21(17)19;1-14-13-28-20(23-14)24(16-7-5-9-22-11-16)18(25)12-26-17-8-4-6-15-10-21(2,3)27-19(15)17;1-14-13-28-20(23-14)24(17-9-4-5-10-22-17)18(25)12-26-16-8-6-7-15-11-21(2,3)27-19(15)16;1-13-12-28-19(23-13)24(16-10-21-7-8-22-16)17(25)11-26-15-6-4-5-14-9-20(2,3)27-18(14)15;1-5-9-21(18-20-13(2)12-25-18)16(22)11-23-15-8-6-7-14-10-19(3,4)24-17(14)15/h5-11,14H,12-13H2,1-4H3;4-9,11,13H,10,12H2,1-3H3;4-10,13H,11-12H2,1-3H3;4-8,10,12H,9,11H2,1-3H3;5-8,12H,1,9-11H2,2-4H3
• InChIKey: JCFCLSPDVIUDRW-UHFFFAOYSA-N
• XLogP: 21.29
• TPSA: 309.86 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 26
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1954.43
LogP ≤ 5	21.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrazin-2-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-2-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-3-ylacetamide?

The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrazin-2-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-2-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-3-ylacetamide (CID 167596180) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrazin-2-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-2-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-3-ylacetamide.

What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrazin-2-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-2-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-3-ylacetamide?

The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrazin-2-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-2-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-3-ylacetamide is C=CCN(C(=O)COc1cccc2c1OC(C)(C)C2)c1nc(C)cs1.Cc1ccc(N(C(=O)COc2cccc3c2OC(C)(C)C3)c2nc(C)cs2)cc1.Cc1csc(N(C(=O)COc2cccc3c2OC(C)(C)C3)c2ccccn2)n1.Cc1csc(N(C(=O)COc2cccc3c2OC(C)(C)C3)c2cccnc2)n1.Cc1csc(N(C(=O)COc2cccc3c2OC(C)(C)C3)c2cnccn2)n1.

What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrazin-2-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-2-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-3-ylacetamide?

The InChIKey is JCFCLSPDVIUDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S.2C21H21N3O3S.C20H20N4O3S.C19H22N2O3S/c1-15-8-10-18(11-9-15)25(22-24-16(2)14-29-22)20(26)13-27-19-7-5-6-17-12-23(3,4)28-21(17)19;1-14-13-28-20(23-14)24(16-7-5-9-22-11-16)18(25)12-26-17-8-4-6-15-10-21(2,3)27-19(15)17;1-14-13-28-20(23-14)24(17-9-4-5-10-22-17)18(25)12-26-16-8-6-7-15-11-21(2,3)27-19(15)16;1-13-12-28-19(23-13)24(16-10-21-7-8-22-16)17(25)11-26-15-6-4-5-14-9-20(2,3)27-18(14)15;1-5-9-21(18-20-13(2)12-25-18)16(22)11-23-15-8-6-7-14-10-19(3,4)24-17(14)15/h5-11,14H,12-13H2,1-4H3;4-9,11,13H,10,12H2,1-3H3;4-10,13H,11-12H2,1-3H3;4-8,10,12H,9,11H2,1-3H3;5-8,12H,1,9-11H2,2-4H3.

What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrazin-2-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-2-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-3-ylacetamide?

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrazin-2-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-2-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-3-ylacetamide has a molecular weight of 1954.43 g/mol, XLogP of 21.29, 26 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyrazin-2-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-2-ylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 167596180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).