2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen

C41H46N4O6S2 — CID 153359581

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen
SMILESCc1cc(C)c2nc(NC(=O)COc3cccc4c3OC(C)(C)C4)sc2c1.Cc1cccc2sc(NC(=O)COc3cccc4c3OC(C)(C)C4)nc12.[H][H].[H][H]
InChIInChI=1S/C21H22N2O3S.C20H20N2O3S.2H2/c1-12-8-13(2)18-16(9-12)27-20(23-18)22-17(24)11-25-15-7-5-6-14-10-21(3,4)26-19(14)15;1-12-6-4-9-15-17(12)22-19(26-15)21-16(23)11-24-14-8-5-7-13-10-20(2,3)25-18(13)14;;/h5-9H,10-11H2,1-4H3,(H,22,23,24);4-9H,10-11H2,1-3H3,(H,21,22,23);2*1H
InChIKeyRPGYWCWIGUGKRZ-UHFFFAOYSA-N
MW754.98 g/mol
LogP9.47
Rot. Bonds8

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen (PubChem CID 153359581) has the molecular formula C41H46N4O6S2 and a molecular weight of 754.98 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen
PubChem CID153359581
Molecular FormulaC41H46N4O6S2
Molecular Weight754.98 g/mol
Exact Mass754.29
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen
SMILESCc1cc(C)c2nc(NC(=O)COc3cccc4c3OC(C)(C)C4)sc2c1.Cc1cccc2sc(NC(=O)COc3cccc4c3OC(C)(C)C4)nc12.[H][H].[H][H]
InChIInChI=1S/C21H22N2O3S.C20H20N2O3S.2H2/c1-12-8-13(2)18-16(9-12)27-20(23-18)22-17(24)11-25-15-7-5-6-14-10-21(3,4)26-19(14)15;1-12-6-4-9-15-17(12)22-19(26-15)21-16(23)11-24-14-8-5-7-13-10-20(2,3)25-18(13)14;;/h5-9H,10-11H2,1-4H3,(H,22,23,24);4-9H,10-11H2,1-3H3,(H,21,22,23);2*1H
InChIKeyRPGYWCWIGUGKRZ-UHFFFAOYSA-N
XLogP9.47
TPSA120.90 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.98
LogP ≤ 59.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen with MolForge

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Related Compounds

N-(6-butyl-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;bis(2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide)
CID 167657470
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 55515416
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methylphenyl)acetamide
CID 18074370
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 16548053
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methylphenyl)acetamide
CID 7899894
2-(2,4,6-trimethylphenyl)ethyl N-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]carbamate
CID 6734497
2-(2-bromo-4-methylphenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 19214317
N-(4-bromo-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 8864015
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 7855779
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 7924308
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7918195
[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2,2-dimethylpropanoate
CID 23790582

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen (CID 153359581) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen is Cc1cc(C)c2nc(NC(=O)COc3cccc4c3OC(C)(C)C4)sc2c1.Cc1cccc2sc(NC(=O)COc3cccc4c3OC(C)(C)C4)nc12.[H][H].[H][H].
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen?
The InChIKey is RPGYWCWIGUGKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S.C20H20N2O3S.2H2/c1-12-8-13(2)18-16(9-12)27-20(23-18)22-17(24)11-25-15-7-5-6-14-10-21(3,4)26-19(14)15;1-12-6-4-9-15-17(12)22-19(26-15)21-16(23)11-24-14-8-5-7-13-10-20(2,3)25-18(13)14;;/h5-9H,10-11H2,1-4H3,(H,22,23,24);4-9H,10-11H2,1-3H3,(H,21,22,23);2*1H.
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen has a molecular weight of 754.98 g/mol, XLogP of 9.47, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen is sourced from PubChem (CID 153359581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).