N-[4-(diethylsulfamoyl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide

C24H30N2O4S — CID 2513771

IUPACN-[4-(diethylsulfamoyl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)cc1
InChIInChI=1S/C24H30N2O4S/c1-6-26(7-2)31(28,29)20-10-8-19(9-11-20)25-24(27)13-18-15-30-23-12-17(5)21(16(3)4)14-22(18)23/h8-12,14-16H,6-7,13H2,1-5H3,(H,25,27)
InChIKeyKZYRSTOTGOALJE-UHFFFAOYSA-N
MW442.58 g/mol
LogP5.08
Rot. Bonds8

About N-[4-(diethylsulfamoyl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide

N-[4-(diethylsulfamoyl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide (PubChem CID 2513771) has the molecular formula C24H30N2O4S and a molecular weight of 442.58 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
PubChem CID2513771
Molecular FormulaC24H30N2O4S
Molecular Weight442.58 g/mol
Exact Mass442.19
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)cc1
InChIInChI=1S/C24H30N2O4S/c1-6-26(7-2)31(28,29)20-10-8-19(9-11-20)25-24(27)13-18-15-30-23-12-17(5)21(16(3)4)14-22(18)23/h8-12,14-16H,6-7,13H2,1-5H3,(H,25,27)
InChIKeyKZYRSTOTGOALJE-UHFFFAOYSA-N
XLogP5.08
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.58
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 3952241
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-(4-ethylsulfonylphenyl)acetamide
CID 42021987
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 32942559
2-fluoro-5-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide
CID 39214150
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 3520986
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 55433162
2-(6-ethyl-1-benzofuran-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 9219883
N-[4-(dimethylsulfamoyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 4875706
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide
CID 52762484
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 2084883
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide
CID 7733151

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide (CID 2513771) is N-[4-(diethylsulfamoyl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
The InChIKey is KZYRSTOTGOALJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4S/c1-6-26(7-2)31(28,29)20-10-8-19(9-11-20)25-24(27)13-18-15-30-23-12-17(5)21(16(3)4)14-22(18)23/h8-12,14-16H,6-7,13H2,1-5H3,(H,25,27).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
N-[4-(diethylsulfamoyl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide has a molecular weight of 442.58 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 2513771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).