N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-phenylacetamide;N-(1,3-benzothiazol-2-yl)-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propanamide;3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-isocyano-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-pyridin-4-yl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(1H-pyrrol-2-yl)-1,3-benzothiazol-2-yl]acetamide

C132H120FN15O16S6 — CID 167602037

About N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-phenylacetamide;N-(1,3-benzothiazol-2-yl)-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propanamide;3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-isocyano-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-pyridin-4-yl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(1H-pyrrol-2-yl)-1,3-benzothiazol-2-yl]acetamide

N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-phenylacetamide;N-(1,3-benzothiazol-2-yl)-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propanamide;3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-isocyano-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-pyridin-4-yl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(1H-pyrrol-2-yl)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 167602037) has the molecular formula C132H120FN15O16S6 and a molecular weight of 2383.90 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-phenylacetamide;N-(1,3-benzothiazol-2-yl)-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propanamide;3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-isocyano-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-pyridin-4-yl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(1H-pyrrol-2-yl)-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]-N-phenylacetamide;N-(1,3-benzothiazol-2-yl)-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propanamide;3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-isocyano-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-pyridin-4-yl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(1H-pyrrol-2-yl)-1,3-benzothiazol-2-yl]acetamide
• PubChem CID: 167602037
• Molecular Formula: C132H120FN15O16S6
• Molecular Weight: 2383.90 g/mol
• Exact Mass: 2381.73
• IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-phenylacetamide;N-(1,3-benzothiazol-2-yl)-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propanamide;3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-isocyano-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-pyridin-4-yl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(1H-pyrrol-2-yl)-1,3-benzothiazol-2-yl]acetamide
• SMILES: CC1(C)Cc2cccc(CCC(=O)Nc3nc4c(F)cccc4s3)c2O1.CC1(C)Cc2cccc(CCC(=O)Nc3nc4ccccc4s3)c2O1.CC1(C)Cc2cccc(OCC(=O)N(c3ccccc3)c3nc4ccccc4s3)c2O1.CC1(C)Cc2cccc(OCC(=O)Nc3nc4c(-c5ccc[nH]5)cccc4s3)c2O1.CC1(C)Cc2cccc(OCC(=O)Nc3nc4c(-c5ccncc5)cccc4s3)c2O1.[C-]#[N+]c1cccc2sc(NC(=O)COc3cccc4c3OC(C)(C)C4)nc12
• InChI: InChI=1S/C25H22N2O3S.C24H21N3O3S.C23H21N3O3S.C20H19FN2O2S.C20H17N3O3S.C20H20N2O2S/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;1-24(2)13-16-5-3-7-18(22(16)30-24)29-14-20(28)26-23-27-21-17(6-4-8-19(21)31-23)15-9-11-25-12-10-15;1-23(2)12-14-6-3-9-17(21(14)29-23)28-13-19(27)25-22-26-20-15(16-8-5-11-24-16)7-4-10-18(20)30-22;1-20(2)11-13-6-3-5-12(18(13)25-20)9-10-16(24)22-19-23-17-14(21)7-4-8-15(17)26-19;1-20(2)10-12-6-4-8-14(18(12)26-20)25-11-16(24)22-19-23-17-13(21-3)7-5-9-15(17)27-19;1-20(2)12-14-7-5-6-13(18(14)24-20)10-11-17(23)22-19-21-15-8-3-4-9-16(15)25-19/h3-14H,15-16H2,1-2H3;3-12H,13-14H2,1-2H3,(H,26,27,28);3-11,24H,12-13H2,1-2H3,(H,25,26,27);3-8H,9-11H2,1-2H3,(H,22,23,24);4-9H,10-11H2,1-2H3,(H,22,23,24);3-9H,10-12H2,1-2H3,(H,21,22,23)
• InChIKey: JWIWEYQZAOGECC-UHFFFAOYSA-N
• XLogP: 29.74
• TPSA: 368.49 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 27
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2383.90
LogP ≤ 5	29.74
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

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]-N-phenylacetamide;N-(1,3-benzothiazol-2-yl)-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propanamide;3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-isocyano-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-pyridin-4-yl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(1H-pyrrol-2-yl)-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]-N-phenylacetamide;N-(1,3-benzothiazol-2-yl)-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propanamide;3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-isocyano-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-pyridin-4-yl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(1H-pyrrol-2-yl)-1,3-benzothiazol-2-yl]acetamide (CID 167602037) is N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-phenylacetamide;N-(1,3-benzothiazol-2-yl)-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propanamide;3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-isocyano-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-pyridin-4-yl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(1H-pyrrol-2-yl)-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]-N-phenylacetamide;N-(1,3-benzothiazol-2-yl)-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propanamide;3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-isocyano-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-pyridin-4-yl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(1H-pyrrol-2-yl)-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]-N-phenylacetamide;N-(1,3-benzothiazol-2-yl)-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propanamide;3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-isocyano-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-pyridin-4-yl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(1H-pyrrol-2-yl)-1,3-benzothiazol-2-yl]acetamide is CC1(C)Cc2cccc(CCC(=O)Nc3nc4c(F)cccc4s3)c2O1.CC1(C)Cc2cccc(CCC(=O)Nc3nc4ccccc4s3)c2O1.CC1(C)Cc2cccc(OCC(=O)N(c3ccccc3)c3nc4ccccc4s3)c2O1.CC1(C)Cc2cccc(OCC(=O)Nc3nc4c(-c5ccc[nH]5)cccc4s3)c2O1.CC1(C)Cc2cccc(OCC(=O)Nc3nc4c(-c5ccncc5)cccc4s3)c2O1.[C-]#[N+]c1cccc2sc(NC(=O)COc3cccc4c3OC(C)(C)C4)nc12.

What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-phenylacetamide;N-(1,3-benzothiazol-2-yl)-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propanamide;3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-isocyano-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-pyridin-4-yl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(1H-pyrrol-2-yl)-1,3-benzothiazol-2-yl]acetamide?

The InChIKey is JWIWEYQZAOGECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3S.C24H21N3O3S.C23H21N3O3S.C20H19FN2O2S.C20H17N3O3S.C20H20N2O2S/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;1-24(2)13-16-5-3-7-18(22(16)30-24)29-14-20(28)26-23-27-21-17(6-4-8-19(21)31-23)15-9-11-25-12-10-15;1-23(2)12-14-6-3-9-17(21(14)29-23)28-13-19(27)25-22-26-20-15(16-8-5-11-24-16)7-4-10-18(20)30-22;1-20(2)11-13-6-3-5-12(18(13)25-20)9-10-16(24)22-19-23-17-14(21)7-4-8-15(17)26-19;1-20(2)10-12-6-4-8-14(18(12)26-20)25-11-16(24)22-19-23-17-13(21-3)7-5-9-15(17)27-19;1-20(2)12-14-7-5-6-13(18(14)24-20)10-11-17(23)22-19-21-15-8-3-4-9-16(15)25-19/h3-14H,15-16H2,1-2H3;3-12H,13-14H2,1-2H3,(H,26,27,28);3-11,24H,12-13H2,1-2H3,(H,25,26,27);3-8H,9-11H2,1-2H3,(H,22,23,24);4-9H,10-11H2,1-2H3,(H,22,23,24);3-9H,10-12H2,1-2H3,(H,21,22,23).

What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-phenylacetamide;N-(1,3-benzothiazol-2-yl)-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propanamide;3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-isocyano-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-pyridin-4-yl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(1H-pyrrol-2-yl)-1,3-benzothiazol-2-yl]acetamide?

N-(1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-phenylacetamide;N-(1,3-benzothiazol-2-yl)-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propanamide;3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-isocyano-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-pyridin-4-yl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(1H-pyrrol-2-yl)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 2383.90 g/mol, XLogP of 29.74, 27 rotatable bonds, 6 hydrogen bond donors, and 29 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]-N-phenylacetamide;N-(1,3-benzothiazol-2-yl)-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propanamide;3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-isocyano-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-pyridin-4-yl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(1H-pyrrol-2-yl)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 167602037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).