5-(diethylsulfamoyl)-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide

C21H24N2O5S — CID 4048386

IUPAC5-(diethylsulfamoyl)-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2oc(C(=O)Nc3ccc(OC)cc3)c(C)c2c1
InChIInChI=1S/C21H24N2O5S/c1-5-23(6-2)29(25,26)17-11-12-19-18(13-17)14(3)20(28-19)21(24)22-15-7-9-16(27-4)10-8-15/h7-13H,5-6H2,1-4H3,(H,22,24)
InChIKeyZCFTXUZHCRXXCR-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.03
Rot. Bonds7

About 5-(diethylsulfamoyl)-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide

5-(diethylsulfamoyl)-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 4048386) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID4048386
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC Name5-(diethylsulfamoyl)-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2oc(C(=O)Nc3ccc(OC)cc3)c(C)c2c1
InChIInChI=1S/C21H24N2O5S/c1-5-23(6-2)29(25,26)17-11-12-19-18(13-17)14(3)20(28-19)21(24)22-15-7-9-16(27-4)10-8-15/h7-13H,5-6H2,1-4H3,(H,22,24)
InChIKeyZCFTXUZHCRXXCR-UHFFFAOYSA-N
XLogP4.03
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(dibutylsulfamoyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4081908
N-(3-chloro-4-methoxyphenyl)-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4081907
N-(4-bromo-2-fluorophenyl)-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4246541
N-[4-(2-hydroxyethyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 110922986
N-(3,5-dimethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7959819
5-methoxy-3-methyl-N-[4-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 8700218
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7750652
5-bromo-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 55343089
N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7928997
N-(4-acetamidophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8701405
5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7581232
5-(diethylsulfamoyl)-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 5240838

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-(diethylsulfamoyl)-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide (CID 4048386) is 5-(diethylsulfamoyl)-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-(diethylsulfamoyl)-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)Nc3ccc(OC)cc3)c(C)c2c1.
What is the InChIKey of 5-(diethylsulfamoyl)-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is ZCFTXUZHCRXXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-5-23(6-2)29(25,26)17-11-12-19-18(13-17)14(3)20(28-19)21(24)22-15-7-9-16(27-4)10-8-15/h7-13H,5-6H2,1-4H3,(H,22,24).
What are the key properties of 5-(diethylsulfamoyl)-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide?
5-(diethylsulfamoyl)-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4048386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).