2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-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-pyridin-4-ylacetamide

C42H43N7O6S2 — CID 153359511

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-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-pyridin-4-ylacetamide
SMILESCc1ccc(N(C(=O)COc2cccc3c2OC(C)(C)C3)c2nc(C)cs2)nn1.Cc1csc(N(C(=O)COc2cccc3c2OC(C)(C)C3)c2ccncc2)n1
InChIInChI=1S/C21H22N4O3S.C21H21N3O3S/c1-13-8-9-17(24-23-13)25(20-22-14(2)12-29-20)18(26)11-27-16-7-5-6-15-10-21(3,4)28-19(15)16;1-14-13-28-20(23-14)24(16-7-9-22-10-8-16)18(25)12-26-17-6-4-5-15-11-21(2,3)27-19(15)17/h5-9,12H,10-11H2,1-4H3;4-10,13H,11-12H2,1-3H3
InChIKeyZOVIUXQGDQDECZ-UHFFFAOYSA-N
MW805.98 g/mol
LogP8.31
Rot. Bonds10

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-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-pyridin-4-ylacetamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-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-pyridin-4-ylacetamide (PubChem CID 153359511) has the molecular formula C42H43N7O6S2 and a molecular weight of 805.98 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-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-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-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-pyridin-4-ylacetamide
PubChem CID153359511
Molecular FormulaC42H43N7O6S2
Molecular Weight805.98 g/mol
Exact Mass805.27
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-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-pyridin-4-ylacetamide
SMILESCc1ccc(N(C(=O)COc2cccc3c2OC(C)(C)C3)c2nc(C)cs2)nn1.Cc1csc(N(C(=O)COc2cccc3c2OC(C)(C)C3)c2ccncc2)n1
InChIInChI=1S/C21H22N4O3S.C21H21N3O3S/c1-13-8-9-17(24-23-13)25(20-22-14(2)12-29-20)18(26)11-27-16-7-5-6-15-10-21(3,4)28-19(15)16;1-14-13-28-20(23-14)24(16-7-9-22-10-8-16)18(25)12-26-17-6-4-5-15-11-21(2,3)27-19(15)17/h5-9,12H,10-11H2,1-4H3;4-10,13H,11-12H2,1-3H3
InChIKeyZOVIUXQGDQDECZ-UHFFFAOYSA-N
XLogP8.31
TPSA141.99 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500805.98
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-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-pyridin-4-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-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-pyridin-4-ylacetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-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-pyridin-4-ylacetamide (CID 153359511) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-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-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-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-pyridin-4-ylacetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-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-pyridin-4-ylacetamide is Cc1ccc(N(C(=O)COc2cccc3c2OC(C)(C)C3)c2nc(C)cs2)nn1.Cc1csc(N(C(=O)COc2cccc3c2OC(C)(C)C3)c2ccncc2)n1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-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-pyridin-4-ylacetamide?
The InChIKey is ZOVIUXQGDQDECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S.C21H21N3O3S/c1-13-8-9-17(24-23-13)25(20-22-14(2)12-29-20)18(26)11-27-16-7-5-6-15-10-21(3,4)28-19(15)16;1-14-13-28-20(23-14)24(16-7-9-22-10-8-16)18(25)12-26-17-6-4-5-15-11-21(2,3)27-19(15)17/h5-9,12H,10-11H2,1-4H3;4-10,13H,11-12H2,1-3H3.
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-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-pyridin-4-ylacetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-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-pyridin-4-ylacetamide has a molecular weight of 805.98 g/mol, XLogP of 8.31, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methylpyridazin-3-yl)-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-pyridin-4-ylacetamide is sourced from PubChem (CID 153359511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).