2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-ethylsulfonylphenyl)acetamide

C20H21NO4S — CID 42021987

IUPAC2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)Cc2coc3cc(C)c(C)cc23)cc1
InChIInChI=1S/C20H21NO4S/c1-4-26(23,24)17-7-5-16(6-8-17)21-20(22)11-15-12-25-19-10-14(3)13(2)9-18(15)19/h5-10,12H,4,11H2,1-3H3,(H,21,22)
InChIKeyCVICVURYQBSBDO-UHFFFAOYSA-N
MW371.46 g/mol
LogP4.02
Rot. Bonds5

About 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-ethylsulfonylphenyl)acetamide

2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-ethylsulfonylphenyl)acetamide (PubChem CID 42021987) has the molecular formula C20H21NO4S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-ethylsulfonylphenyl)acetamide
PubChem CID42021987
Molecular FormulaC20H21NO4S
Molecular Weight371.46 g/mol
Exact Mass371.12
IUPAC Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)Cc2coc3cc(C)c(C)cc23)cc1
InChIInChI=1S/C20H21NO4S/c1-4-26(23,24)17-7-5-16(6-8-17)21-20(22)11-15-12-25-19-10-14(3)13(2)9-18(15)19/h5-10,12H,4,11H2,1-3H3,(H,21,22)
InChIKeyCVICVURYQBSBDO-UHFFFAOYSA-N
XLogP4.02
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-ethylsulfonylphenyl)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

2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide
CID 7733151
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 16547774
N-(4-acetamido-3-methylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 46550765
4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 38107740
N-[4-(diethylsulfamoyl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 2513771
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 41368529
N-(3-acetylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 7770634
N-(2-chloro-5-methylsulfonylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 17414395
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 78890275
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-methylsulfonylphenyl)acetamide
CID 26213313
N-[4-(carbamoylamino)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 33150978
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methylphenyl)acetamide
CID 7946686

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-ethylsulfonylphenyl)acetamide (CID 42021987) is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(NC(=O)Cc2coc3cc(C)c(C)cc23)cc1.
What is the InChIKey of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is CVICVURYQBSBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4S/c1-4-26(23,24)17-7-5-16(6-8-17)21-20(22)11-15-12-25-19-10-14(3)13(2)9-18(15)19/h5-10,12H,4,11H2,1-3H3,(H,21,22).
What are the key properties of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-ethylsulfonylphenyl)acetamide?
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 371.46 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 42021987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).