5-(dibutylsulfamoyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide

C26H34N2O4S — CID 20967856

IUPAC5-(dibutylsulfamoyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc2oc(C(=O)NCCc3ccccc3)c(C)c2c1
InChIInChI=1S/C26H34N2O4S/c1-4-6-17-28(18-7-5-2)33(30,31)22-13-14-24-23(19-22)20(3)25(32-24)26(29)27-16-15-21-11-9-8-10-12-21/h8-14,19H,4-7,15-18H2,1-3H3,(H,27,29)
InChIKeyZQXTYYFBTJNPPR-UHFFFAOYSA-N
MW470.64 g/mol
LogP5.30
Rot. Bonds12

About 5-(dibutylsulfamoyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide

5-(dibutylsulfamoyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide (PubChem CID 20967856) has the molecular formula C26H34N2O4S and a molecular weight of 470.64 g/mol. Its IUPAC name is 5-(dibutylsulfamoyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-(dibutylsulfamoyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
PubChem CID20967856
Molecular FormulaC26H34N2O4S
Molecular Weight470.64 g/mol
Exact Mass470.22
IUPAC Name5-(dibutylsulfamoyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc2oc(C(=O)NCCc3ccccc3)c(C)c2c1
InChIInChI=1S/C26H34N2O4S/c1-4-6-17-28(18-7-5-2)33(30,31)22-13-14-24-23(19-22)20(3)25(32-24)26(29)27-16-15-21-11-9-8-10-12-21/h8-14,19H,4-7,15-18H2,1-3H3,(H,27,29)
InChIKeyZQXTYYFBTJNPPR-UHFFFAOYSA-N
XLogP5.30
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.64
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide
CID 20967860
5-(dibutylsulfamoyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4081908
N-benzyl-5-(diethylsulfamoyl)-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 15987906
N-butyl-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide
CID 22422460
5-fluoro-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 9080530
5-[butyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 4286540
5-(dibutylsulfamoyl)-N-(2,3-dimethylcyclohexyl)-3-methyl-1-benzofuran-2-carboxamide
CID 20967859
5-[(2,6-dimethylphenyl)methyl-(2-phenylethyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 167174430
N-(3-chloro-4-methoxyphenyl)-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4081907
5-[(2-chloro-6-fluorophenyl)methyl-(2-phenylethyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 167174713
3-methyl-5-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl-(2-phenylethyl)sulfamoyl]-1-benzofuran-2-carboxylic acid
CID 167174309
5-(diethylsulfamoyl)-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 5240838

Frequently Asked Questions

What is the IUPAC name of 5-(dibutylsulfamoyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-(dibutylsulfamoyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide (CID 20967856) is 5-(dibutylsulfamoyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-(dibutylsulfamoyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-(dibutylsulfamoyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide is CCCCN(CCCC)S(=O)(=O)c1ccc2oc(C(=O)NCCc3ccccc3)c(C)c2c1.
What is the InChIKey of 5-(dibutylsulfamoyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is ZQXTYYFBTJNPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4S/c1-4-6-17-28(18-7-5-2)33(30,31)22-13-14-24-23(19-22)20(3)25(32-24)26(29)27-16-15-21-11-9-8-10-12-21/h8-14,19H,4-7,15-18H2,1-3H3,(H,27,29).
What are the key properties of 5-(dibutylsulfamoyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide?
5-(dibutylsulfamoyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide has a molecular weight of 470.64 g/mol, XLogP of 5.30, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dibutylsulfamoyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 20967856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).