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

C25H32N2O5S — CID 4081908

IUPAC5-(dibutylsulfamoyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc2oc(C(=O)Nc3cccc(OC)c3)c(C)c2c1
InChIInChI=1S/C25H32N2O5S/c1-5-7-14-27(15-8-6-2)33(29,30)21-12-13-23-22(17-21)18(3)24(32-23)25(28)26-19-10-9-11-20(16-19)31-4/h9-13,16-17H,5-8,14-15H2,1-4H3,(H,26,28)
InChIKeyFOLUDSKPZUCCQJ-UHFFFAOYSA-N
MW472.61 g/mol
LogP5.59
Rot. Bonds11

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

5-(dibutylsulfamoyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 4081908) has the molecular formula C25H32N2O5S and a molecular weight of 472.61 g/mol. Its IUPAC name is 5-(dibutylsulfamoyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-(dibutylsulfamoyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID4081908
Molecular FormulaC25H32N2O5S
Molecular Weight472.61 g/mol
Exact Mass472.20
IUPAC Name5-(dibutylsulfamoyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc2oc(C(=O)Nc3cccc(OC)c3)c(C)c2c1
InChIInChI=1S/C25H32N2O5S/c1-5-7-14-27(15-8-6-2)33(29,30)21-12-13-23-22(17-21)18(3)24(32-23)25(28)26-19-10-9-11-20(16-19)31-4/h9-13,16-17H,5-8,14-15H2,1-4H3,(H,26,28)
InChIKeyFOLUDSKPZUCCQJ-UHFFFAOYSA-N
XLogP5.59
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.61
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(dibutylsulfamoyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-methoxyphenyl)-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4081907
5-(diethylsulfamoyl)-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4048386
5-(azepan-1-ylsulfonyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4246547
5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7992434
5-(dibutylsulfamoyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
CID 20967856
N-cyclohexyl-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide
CID 20967860
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4530137
N-[3-(ethylcarbamoyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 17473266
N-(3,5-dimethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7959819
5-(dibutylsulfamoyl)-N-(2,3-dimethylcyclohexyl)-3-methyl-1-benzofuran-2-carboxamide
CID 20967859
5-[butyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 4286540
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7750652

Frequently Asked Questions

What is the IUPAC name of 5-(dibutylsulfamoyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-(dibutylsulfamoyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide (CID 4081908) is 5-(dibutylsulfamoyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-(dibutylsulfamoyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-(dibutylsulfamoyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide is CCCCN(CCCC)S(=O)(=O)c1ccc2oc(C(=O)Nc3cccc(OC)c3)c(C)c2c1.
What is the InChIKey of 5-(dibutylsulfamoyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is FOLUDSKPZUCCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5S/c1-5-7-14-27(15-8-6-2)33(29,30)21-12-13-23-22(17-21)18(3)24(32-23)25(28)26-19-10-9-11-20(16-19)31-4/h9-13,16-17H,5-8,14-15H2,1-4H3,(H,26,28).
What are the key properties of 5-(dibutylsulfamoyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide?
5-(dibutylsulfamoyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 472.61 g/mol, XLogP of 5.59, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dibutylsulfamoyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4081908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).