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

C22H26N2O4S — CID 9219883

IUPAC2-(6-ethyl-1-benzofuran-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
SMILESCCc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N(C)C(C)C)cc3)coc2c1
InChIInChI=1S/C22H26N2O4S/c1-5-16-6-11-20-17(14-28-21(20)12-16)13-22(25)23-18-7-9-19(10-8-18)29(26,27)24(4)15(2)3/h6-12,14-15H,5,13H2,1-4H3,(H,23,25)
InChIKeyDKHHJEPUCHZTPO-UHFFFAOYSA-N
MW414.53 g/mol
LogP4.21
Rot. Bonds7

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

2-(6-ethyl-1-benzofuran-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 9219883) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is 2-(6-ethyl-1-benzofuran-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(6-ethyl-1-benzofuran-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID9219883
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Name2-(6-ethyl-1-benzofuran-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
SMILESCCc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N(C)C(C)C)cc3)coc2c1
InChIInChI=1S/C22H26N2O4S/c1-5-16-6-11-20-17(14-28-21(20)12-16)13-22(25)23-18-7-9-19(10-8-18)29(26,27)24(4)15(2)3/h6-12,14-15H,5,13H2,1-4H3,(H,23,25)
InChIKeyDKHHJEPUCHZTPO-UHFFFAOYSA-N
XLogP4.21
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylsulfamoyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 4875706
N-[4-(dimethylsulfamoyl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2672835
2-(6-ethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 18107939
2-(4-methylphenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 9224098
2-(3,4-dimethylphenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 8759555
2-(6-ethyl-1-benzofuran-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 8851829
2-(6-ethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 9440831
N-[4-(diethylsulfamoyl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 2513771
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 51313250
2-(6-ethyl-1-benzofuran-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 2446439
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-ethylsulfonylphenyl)acetamide
CID 42021987
2-(6-ethyl-1-benzofuran-3-yl)acetic acid
CID 2393677

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-1-benzofuran-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(6-ethyl-1-benzofuran-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide (CID 9219883) is 2-(6-ethyl-1-benzofuran-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(6-ethyl-1-benzofuran-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(6-ethyl-1-benzofuran-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide is CCc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N(C)C(C)C)cc3)coc2c1.
What is the InChIKey of 2-(6-ethyl-1-benzofuran-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is DKHHJEPUCHZTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-5-16-6-11-20-17(14-28-21(20)12-16)13-22(25)23-18-7-9-19(10-8-18)29(26,27)24(4)15(2)3/h6-12,14-15H,5,13H2,1-4H3,(H,23,25).
What are the key properties of 2-(6-ethyl-1-benzofuran-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide?
2-(6-ethyl-1-benzofuran-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 414.53 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-1-benzofuran-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 9219883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).