2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-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-phenylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide;N-(4-methyl-1,3-thiazol-2-yl)-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;2-(1,2,3,4-tetrahydroquinolin-8-yloxy)-N-(1,3-thiazol-2-yl)acetamide

C82H88N12O13S5 — CID 167552933

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-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-phenylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide;N-(4-methyl-1,3-thiazol-2-yl)-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;2-(1,2,3,4-tetrahydroquinolin-8-yloxy)-N-(1,3-thiazol-2-yl)acetamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-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-phenylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide;N-(4-methyl-1,3-thiazol-2-yl)-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;2-(1,2,3,4-tetrahydroquinolin-8-yloxy)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 167552933) has the molecular formula C82H88N12O13S5 and a molecular weight of 1610.01 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-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-phenylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide;N-(4-methyl-1,3-thiazol-2-yl)-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;2-(1,2,3,4-tetrahydroquinolin-8-yloxy)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-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-phenylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide;N-(4-methyl-1,3-thiazol-2-yl)-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;2-(1,2,3,4-tetrahydroquinolin-8-yloxy)-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 167552933
• Molecular Formula: C82H88N12O13S5
• Molecular Weight: 1610.01 g/mol
• Exact Mass: 1608.52
• IUPAC Name: 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-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-phenylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide;N-(4-methyl-1,3-thiazol-2-yl)-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;2-(1,2,3,4-tetrahydroquinolin-8-yloxy)-N-(1,3-thiazol-2-yl)acetamide
• SMILES: CC1(C)Cc2cccc(OCC(=O)Nc3nccs3)c2O1.Cc1cnc(NC(=O)COc2cccc3c2OC(C)(C)C3)s1.Cc1csc(N(C(=O)COc2cccc3c2OC(C)(C)C3)c2ccccc2)n1.Cc1csc(NC(=O)COc2cccc3c2NCCC3)n1.O=C(COc1cccc2c1NCCC2)Nc1nccs1
• InChI: InChI=1S/C22H22N2O3S.C16H18N2O3S.C15H17N3O2S.C15H16N2O3S.C14H15N3O2S/c1-15-14-28-21(23-15)24(17-9-5-4-6-10-17)19(25)13-26-18-11-7-8-16-12-22(2,3)27-20(16)18;1-10-8-17-15(22-10)18-13(19)9-20-12-6-4-5-11-7-16(2,3)21-14(11)12;1-10-9-21-15(17-10)18-13(19)8-20-12-6-2-4-11-5-3-7-16-14(11)12;1-15(2)8-10-4-3-5-11(13(10)20-15)19-9-12(18)17-14-16-6-7-21-14;18-12(17-14-16-7-8-20-14)9-19-11-5-1-3-10-4-2-6-15-13(10)11/h4-11,14H,12-13H2,1-3H3;4-6,8H,7,9H2,1-3H3,(H,17,18,19);2,4,6,9,16H,3,5,7-8H2,1H3,(H,17,18,19);3-7H,8-9H2,1-2H3,(H,16,17,18);1,3,5,7-8,15H,2,4,6,9H2,(H,16,17,18)
• InChIKey: CQKDGZZSKXGTOW-UHFFFAOYSA-N
• XLogP: 16.31
• TPSA: 299.06 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 21
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1610.01
LogP ≤ 5	16.31
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-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-phenylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide;N-(4-methyl-1,3-thiazol-2-yl)-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;2-(1,2,3,4-tetrahydroquinolin-8-yloxy)-N-(1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-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-phenylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide;N-(4-methyl-1,3-thiazol-2-yl)-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;2-(1,2,3,4-tetrahydroquinolin-8-yloxy)-N-(1,3-thiazol-2-yl)acetamide (CID 167552933) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-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-phenylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide;N-(4-methyl-1,3-thiazol-2-yl)-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;2-(1,2,3,4-tetrahydroquinolin-8-yloxy)-N-(1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-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-phenylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide;N-(4-methyl-1,3-thiazol-2-yl)-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;2-(1,2,3,4-tetrahydroquinolin-8-yloxy)-N-(1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-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-phenylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide;N-(4-methyl-1,3-thiazol-2-yl)-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;2-(1,2,3,4-tetrahydroquinolin-8-yloxy)-N-(1,3-thiazol-2-yl)acetamide is CC1(C)Cc2cccc(OCC(=O)Nc3nccs3)c2O1.Cc1cnc(NC(=O)COc2cccc3c2OC(C)(C)C3)s1.Cc1csc(N(C(=O)COc2cccc3c2OC(C)(C)C3)c2ccccc2)n1.Cc1csc(NC(=O)COc2cccc3c2NCCC3)n1.O=C(COc1cccc2c1NCCC2)Nc1nccs1.

What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-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-phenylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide;N-(4-methyl-1,3-thiazol-2-yl)-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;2-(1,2,3,4-tetrahydroquinolin-8-yloxy)-N-(1,3-thiazol-2-yl)acetamide?

The InChIKey is CQKDGZZSKXGTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S.C16H18N2O3S.C15H17N3O2S.C15H16N2O3S.C14H15N3O2S/c1-15-14-28-21(23-15)24(17-9-5-4-6-10-17)19(25)13-26-18-11-7-8-16-12-22(2,3)27-20(16)18;1-10-8-17-15(22-10)18-13(19)9-20-12-6-4-5-11-7-16(2,3)21-14(11)12;1-10-9-21-15(17-10)18-13(19)8-20-12-6-2-4-11-5-3-7-16-14(11)12;1-15(2)8-10-4-3-5-11(13(10)20-15)19-9-12(18)17-14-16-6-7-21-14;18-12(17-14-16-7-8-20-14)9-19-11-5-1-3-10-4-2-6-15-13(10)11/h4-11,14H,12-13H2,1-3H3;4-6,8H,7,9H2,1-3H3,(H,17,18,19);2,4,6,9,16H,3,5,7-8H2,1H3,(H,17,18,19);3-7H,8-9H2,1-2H3,(H,16,17,18);1,3,5,7-8,15H,2,4,6,9H2,(H,16,17,18).

What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-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-phenylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide;N-(4-methyl-1,3-thiazol-2-yl)-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;2-(1,2,3,4-tetrahydroquinolin-8-yloxy)-N-(1,3-thiazol-2-yl)acetamide?

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-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-phenylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide;N-(4-methyl-1,3-thiazol-2-yl)-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;2-(1,2,3,4-tetrahydroquinolin-8-yloxy)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 1610.01 g/mol, XLogP of 16.31, 21 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-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-phenylacetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide;N-(4-methyl-1,3-thiazol-2-yl)-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;2-(1,2,3,4-tetrahydroquinolin-8-yloxy)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 167552933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).