2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide;2-[[2,2-dimethyl-5-(trifluoromethyl)-3H-1-benzofuran-7-yl]oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C67H72F6N6O9S3 — CID 167650133

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide;2-[[2,2-dimethyl-5-(trifluoromethyl)-3H-1-benzofuran-7-yl]oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCC1(C)Cc2cc(C(F)(F)F)cc(OCC(=O)Nc3nc4c(s3)CCCC4)c2O1.CC1(C)Cc2cccc(OC(Cc3ccccc3)C(=O)Nc3nc4c(s3)CCCC4)c2O1.CC1(C)Cc2cccc(OCC(=O)N(CC(F)(F)F)c3nc4c(s3)CCCC4)c2O1
InChIInChI=1S/C26H28N2O3S.C21H23F3N2O3S.C20H21F3N2O3S/c1-26(2)16-18-11-8-13-20(23(18)31-26)30-21(15-17-9-4-3-5-10-17)24(29)28-25-27-19-12-6-7-14-22(19)32-25;1-20(2)10-13-6-5-8-15(18(13)29-20)28-11-17(27)26(12-21(22,23)24)19-25-14-7-3-4-9-16(14)30-19;1-19(2)9-11-7-12(20(21,22)23)8-14(17(11)28-19)27-10-16(26)25-18-24-13-5-3-4-6-15(13)29-18/h3-5,8-11,13,21H,6-7,12,14-16H2,1-2H3,(H,27,28,29);5-6,8H,3-4,7,9-12H2,1-2H3;7-8H,3-6,9-10H2,1-2H3,(H,24,25,26)
InChIKeyQLLTVIWEERHGKH-UHFFFAOYSA-N
MW1315.53 g/mol
LogP14.85
Rot. Bonds15

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide;2-[[2,2-dimethyl-5-(trifluoromethyl)-3H-1-benzofuran-7-yl]oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide;2-[[2,2-dimethyl-5-(trifluoromethyl)-3H-1-benzofuran-7-yl]oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 167650133) has the molecular formula C67H72F6N6O9S3 and a molecular weight of 1315.53 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide;2-[[2,2-dimethyl-5-(trifluoromethyl)-3H-1-benzofuran-7-yl]oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide;2-[[2,2-dimethyl-5-(trifluoromethyl)-3H-1-benzofuran-7-yl]oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID167650133
Molecular FormulaC67H72F6N6O9S3
Molecular Weight1315.53 g/mol
Exact Mass1314.44
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide;2-[[2,2-dimethyl-5-(trifluoromethyl)-3H-1-benzofuran-7-yl]oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCC1(C)Cc2cc(C(F)(F)F)cc(OCC(=O)Nc3nc4c(s3)CCCC4)c2O1.CC1(C)Cc2cccc(OC(Cc3ccccc3)C(=O)Nc3nc4c(s3)CCCC4)c2O1.CC1(C)Cc2cccc(OCC(=O)N(CC(F)(F)F)c3nc4c(s3)CCCC4)c2O1
InChIInChI=1S/C26H28N2O3S.C21H23F3N2O3S.C20H21F3N2O3S/c1-26(2)16-18-11-8-13-20(23(18)31-26)30-21(15-17-9-4-3-5-10-17)24(29)28-25-27-19-12-6-7-14-22(19)32-25;1-20(2)10-13-6-5-8-15(18(13)29-20)28-11-17(27)26(12-21(22,23)24)19-25-14-7-3-4-9-16(14)30-19;1-19(2)9-11-7-12(20(21,22)23)8-14(17(11)28-19)27-10-16(26)25-18-24-13-5-3-4-6-15(13)29-18/h3-5,8-11,13,21H,6-7,12,14-16H2,1-2H3,(H,27,28,29);5-6,8H,3-4,7,9-12H2,1-2H3;7-8H,3-6,9-10H2,1-2H3,(H,24,25,26)
InChIKeyQLLTVIWEERHGKH-UHFFFAOYSA-N
XLogP14.85
TPSA172.56 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001315.53
LogP ≤ 514.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide;2-[[2,2-dimethyl-5-(trifluoromethyl)-3H-1-benzofuran-7-yl]oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide;2-[[2,2-dimethyl-5-(trifluoromethyl)-3H-1-benzofuran-7-yl]oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide;2-[[2,2-dimethyl-5-(trifluoromethyl)-3H-1-benzofuran-7-yl]oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 167650133) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide;2-[[2,2-dimethyl-5-(trifluoromethyl)-3H-1-benzofuran-7-yl]oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide;2-[[2,2-dimethyl-5-(trifluoromethyl)-3H-1-benzofuran-7-yl]oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide;2-[[2,2-dimethyl-5-(trifluoromethyl)-3H-1-benzofuran-7-yl]oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is CC1(C)Cc2cc(C(F)(F)F)cc(OCC(=O)Nc3nc4c(s3)CCCC4)c2O1.CC1(C)Cc2cccc(OC(Cc3ccccc3)C(=O)Nc3nc4c(s3)CCCC4)c2O1.CC1(C)Cc2cccc(OCC(=O)N(CC(F)(F)F)c3nc4c(s3)CCCC4)c2O1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide;2-[[2,2-dimethyl-5-(trifluoromethyl)-3H-1-benzofuran-7-yl]oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is QLLTVIWEERHGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3S.C21H23F3N2O3S.C20H21F3N2O3S/c1-26(2)16-18-11-8-13-20(23(18)31-26)30-21(15-17-9-4-3-5-10-17)24(29)28-25-27-19-12-6-7-14-22(19)32-25;1-20(2)10-13-6-5-8-15(18(13)29-20)28-11-17(27)26(12-21(22,23)24)19-25-14-7-3-4-9-16(14)30-19;1-19(2)9-11-7-12(20(21,22)23)8-14(17(11)28-19)27-10-16(26)25-18-24-13-5-3-4-6-15(13)29-18/h3-5,8-11,13,21H,6-7,12,14-16H2,1-2H3,(H,27,28,29);5-6,8H,3-4,7,9-12H2,1-2H3;7-8H,3-6,9-10H2,1-2H3,(H,24,25,26).
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide;2-[[2,2-dimethyl-5-(trifluoromethyl)-3H-1-benzofuran-7-yl]oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide;2-[[2,2-dimethyl-5-(trifluoromethyl)-3H-1-benzofuran-7-yl]oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 1315.53 g/mol, XLogP of 14.85, 15 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide;2-[[2,2-dimethyl-5-(trifluoromethyl)-3H-1-benzofuran-7-yl]oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 167650133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).