2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide

C21H24N2O5S — CID 9106228

IUPAC2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(=O)Cc2coc3c(C)c(C)ccc23)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H24N2O5S/c1-13-6-8-17-15(12-28-21(17)14(13)2)10-20(24)22-16-7-9-18(27-5)19(11-16)29(25,26)23(3)4/h6-9,11-12H,10H2,1-5H3,(H,22,24)
InChIKeyOBKJSEIHLCODBU-UHFFFAOYSA-N
MW416.50 g/mol
LogP3.49
Rot. Bonds6

About 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide (PubChem CID 9106228) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
PubChem CID9106228
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(=O)Cc2coc3c(C)c(C)ccc23)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H24N2O5S/c1-13-6-8-17-15(12-28-21(17)14(13)2)10-20(24)22-16-7-9-18(27-5)19(11-16)29(25,26)23(3)4/h6-9,11-12H,10H2,1-5H3,(H,22,24)
InChIKeyOBKJSEIHLCODBU-UHFFFAOYSA-N
XLogP3.49
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-(2-hydroxyethoxy)-3-methylphenyl]acetamide
CID 75519846
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 9109103
N-[4-(dicyclohexylsulfamoyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 18861583
3-(2,3-dimethoxyphenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]propanamide
CID 9020974
N-[4-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 17441796
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 7617651
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9474071
N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8779926
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-iodoanilino)acetamide
CID 24658780
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18166231
2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
CID 9106527
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 25387946

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide?
The IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide (CID 9106228) is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide.
What is the SMILES notation for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide?
The canonical SMILES for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide is COc1ccc(NC(=O)Cc2coc3c(C)c(C)ccc23)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide?
The InChIKey is OBKJSEIHLCODBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-13-6-8-17-15(12-28-21(17)14(13)2)10-20(24)22-16-7-9-18(27-5)19(11-16)29(25,26)23(3)4/h6-9,11-12H,10H2,1-5H3,(H,22,24).
What are the key properties of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide?
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide has a molecular weight of 416.50 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide is sourced from PubChem (CID 9106228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).