4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(2-methylsulfanylphenyl)benzamide

C25H25NO3S — CID 26842040

IUPAC4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1
InChIInChI=1S/C25H25NO3S/c1-25(2)15-19-7-6-9-21(23(19)29-25)28-16-17-11-13-18(14-12-17)24(27)26-20-8-4-5-10-22(20)30-3/h4-14H,15-16H2,1-3H3,(H,26,27)
InChIKeyRWNGRCTWFZVFMY-UHFFFAOYSA-N
MW419.55 g/mol
LogP5.95
Rot. Bonds6

About 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(2-methylsulfanylphenyl)benzamide

4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(2-methylsulfanylphenyl)benzamide (PubChem CID 26842040) has the molecular formula C25H25NO3S and a molecular weight of 419.55 g/mol. Its IUPAC name is 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(2-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(2-methylsulfanylphenyl)benzamide
PubChem CID26842040
Molecular FormulaC25H25NO3S
Molecular Weight419.55 g/mol
Exact Mass419.16
IUPAC Name4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1
InChIInChI=1S/C25H25NO3S/c1-25(2)15-19-7-6-9-21(23(19)29-25)28-16-17-11-13-18(14-12-17)24(27)26-20-8-4-5-10-22(20)30-3/h4-14H,15-16H2,1-3H3,(H,26,27)
InChIKeyRWNGRCTWFZVFMY-UHFFFAOYSA-N
XLogP5.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.55
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(2-methylsulfanylphenyl)benzamide 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

2-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzoyl]amino]benzamide
CID 26842085
N-[(2S)-butan-2-yl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide
CID 8552006
methyl 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzoate
CID 24818301
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3,4-dimethylphenyl)benzamide
CID 26842060
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3-methoxyphenyl)benzamide
CID 26842036
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8552286
N-(3,4-dichlorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide
CID 26842050
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3-nitrophenyl)benzamide
CID 26842034
N-[(2-chlorophenyl)methyl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide
CID 26842014
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N,N-bis(2-methoxyethyl)benzamide
CID 26841997
N-[2-(cyclohexen-1-yl)ethyl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide
CID 8552103
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methylphenyl)acetamide
CID 18074370

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(2-methylsulfanylphenyl)benzamide?
The IUPAC name of 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(2-methylsulfanylphenyl)benzamide (CID 26842040) is 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(2-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(2-methylsulfanylphenyl)benzamide?
The canonical SMILES for 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(2-methylsulfanylphenyl)benzamide is CSc1ccccc1NC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1.
What is the InChIKey of 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(2-methylsulfanylphenyl)benzamide?
The InChIKey is RWNGRCTWFZVFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3S/c1-25(2)15-19-7-6-9-21(23(19)29-25)28-16-17-11-13-18(14-12-17)24(27)26-20-8-4-5-10-22(20)30-3/h4-14H,15-16H2,1-3H3,(H,26,27).
What are the key properties of 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(2-methylsulfanylphenyl)benzamide?
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(2-methylsulfanylphenyl)benzamide has a molecular weight of 419.55 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(2-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 26842040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).