2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide

C21H26N2O5S — CID 29468555

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)COc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C21H26N2O5S/c1-21(2)12-15-9-7-10-17(20(15)28-21)27-14-19(24)22-13-16-8-5-6-11-18(16)29(25,26)23(3)4/h5-11H,12-14H2,1-4H3,(H,22,24)
InChIKeyYDPQUFQXPVWQDB-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.35
Rot. Bonds7

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide (PubChem CID 29468555) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
PubChem CID29468555
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)COc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C21H26N2O5S/c1-21(2)12-15-9-7-10-17(20(15)28-21)27-14-19(24)22-13-16-8-5-6-11-18(16)29(25,26)23(3)4/h5-11H,12-14H2,1-4H3,(H,22,24)
InChIKeyYDPQUFQXPVWQDB-UHFFFAOYSA-N
XLogP2.35
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2-chlorophenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 9165272
N-[(2,6-difluorophenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 8551831
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide
CID 56765570
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 30822680
2-(2-benzylphenoxy)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 29466113
4-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]benzoic acid
CID 45423782
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-pyridin-3-yl-3-pyridinyl)methyl]acetamide
CID 91817154
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3-phenylpropyl)acetamide
CID 8551560
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
CID 90523049
2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]ethyl-dimethylazanium
CID 7858818
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 30178068
3-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]benzamide
CID 33093596

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide (CID 29468555) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide is CN(C)S(=O)(=O)c1ccccc1CNC(=O)COc1cccc2c1OC(C)(C)C2.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide?
The InChIKey is YDPQUFQXPVWQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-21(2)12-15-9-7-10-17(20(15)28-21)27-14-19(24)22-13-16-8-5-6-11-18(16)29(25,26)23(3)4/h5-11H,12-14H2,1-4H3,(H,22,24).
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide has a molecular weight of 418.52 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide is sourced from PubChem (CID 29468555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).