2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-propyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;methyl 2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]acetate

C136H158N14O20S6 — CID 167554513

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-propyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;methyl 2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]acetate

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-propyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;methyl 2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]acetate (PubChem CID 167554513) has the molecular formula C136H158N14O20S6 and a molecular weight of 2501.24 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-propyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;methyl 2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]acetate.

Molecular Properties

• Compound Name: 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-propyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;methyl 2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]acetate
• PubChem CID: 167554513
• Molecular Formula: C136H158N14O20S6
• Molecular Weight: 2501.24 g/mol
• Exact Mass: 2499.01
• IUPAC Name: 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-propyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;methyl 2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]acetate
• SMILES: C=CCN(C(=O)COc1cccc2c1OC(C)(C)C2)c1nc2c(s1)CCCC2.CC1(C)Cc2cccc(OCC(=O)N(c3ccccc3)c3nc4c(s3)CCCC4)c2O1.CCCN(C(=O)COc1cccc2c1OC(C)(C)C2)c1nc2c(s1)CCCC2.CCN(C(=O)COc1cccc2c1OC(C)(C)C2)c1nc2c(s1)CCCC2.COC(=O)CN(C(=O)COc1cccc2c1OC(C)(C)C2)c1nc2c(s1)CCCC2.Cc1ccc(N(C(=O)COc2cccc3c2OC(C)(C)C3)c2nc3c(s2)CCCC3)nn1
• InChI: InChI=1S/C25H26N2O3S.C24H26N4O3S.C22H26N2O5S.C22H28N2O3S.C22H26N2O3S.C21H26N2O3S/c1-25(2)15-17-9-8-13-20(23(17)30-25)29-16-22(28)27(18-10-4-3-5-11-18)24-26-19-12-6-7-14-21(19)31-24;1-15-11-12-20(27-26-15)28(23-25-17-8-4-5-10-19(17)32-23)21(29)14-30-18-9-6-7-16-13-24(2,3)31-22(16)18;1-22(2)11-14-7-6-9-16(20(14)29-22)28-13-18(25)24(12-19(26)27-3)21-23-15-8-4-5-10-17(15)30-21;2*1-4-12-24(21-23-16-9-5-6-11-18(16)28-21)19(25)14-26-17-10-7-8-15-13-22(2,3)27-20(15)17;1-4-23(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/h3-5,8-11,13H,6-7,12,14-16H2,1-2H3;6-7,9,11-12H,4-5,8,10,13-14H2,1-3H3;6-7,9H,4-5,8,10-13H2,1-3H3;7-8,10H,4-6,9,11-14H2,1-3H3;4,7-8,10H,1,5-6,9,11-14H2,2-3H3;7-8,10H,4-6,9,11-13H2,1-3H3
• InChIKey: CVJANFUCOGKDSV-UHFFFAOYSA-N
• XLogP: 26.44
• TPSA: 362.04 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 33
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2501.24
LogP ≤ 5	26.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

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-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-propyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;methyl 2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]acetate?

The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-propyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;methyl 2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]acetate (CID 167554513) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-propyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;methyl 2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]acetate.

What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-propyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;methyl 2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]acetate?

The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-propyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;methyl 2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]acetate is C=CCN(C(=O)COc1cccc2c1OC(C)(C)C2)c1nc2c(s1)CCCC2.CC1(C)Cc2cccc(OCC(=O)N(c3ccccc3)c3nc4c(s3)CCCC4)c2O1.CCCN(C(=O)COc1cccc2c1OC(C)(C)C2)c1nc2c(s1)CCCC2.CCN(C(=O)COc1cccc2c1OC(C)(C)C2)c1nc2c(s1)CCCC2.COC(=O)CN(C(=O)COc1cccc2c1OC(C)(C)C2)c1nc2c(s1)CCCC2.Cc1ccc(N(C(=O)COc2cccc3c2OC(C)(C)C3)c2nc3c(s2)CCCC3)nn1.

What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-propyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;methyl 2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]acetate?

The InChIKey is CVJANFUCOGKDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S.C24H26N4O3S.C22H26N2O5S.C22H28N2O3S.C22H26N2O3S.C21H26N2O3S/c1-25(2)15-17-9-8-13-20(23(17)30-25)29-16-22(28)27(18-10-4-3-5-11-18)24-26-19-12-6-7-14-21(19)31-24;1-15-11-12-20(27-26-15)28(23-25-17-8-4-5-10-19(17)32-23)21(29)14-30-18-9-6-7-16-13-24(2,3)31-22(16)18;1-22(2)11-14-7-6-9-16(20(14)29-22)28-13-18(25)24(12-19(26)27-3)21-23-15-8-4-5-10-17(15)30-21;2*1-4-12-24(21-23-16-9-5-6-11-18(16)28-21)19(25)14-26-17-10-7-8-15-13-22(2,3)27-20(15)17;1-4-23(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/h3-5,8-11,13H,6-7,12,14-16H2,1-2H3;6-7,9,11-12H,4-5,8,10,13-14H2,1-3H3;6-7,9H,4-5,8,10-13H2,1-3H3;7-8,10H,4-6,9,11-14H2,1-3H3;4,7-8,10H,1,5-6,9,11-14H2,2-3H3;7-8,10H,4-6,9,11-13H2,1-3H3.

What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-propyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;methyl 2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]acetate?

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-propyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;methyl 2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]acetate has a molecular weight of 2501.24 g/mol, XLogP of 26.44, 33 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-propyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;methyl 2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]acetate is sourced from PubChem (CID 167554513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).