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

C26H40N2O4S — CID 20967859

IUPAC5-(dibutylsulfamoyl)-N-(2,3-dimethylcyclohexyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc2oc(C(=O)NC3CCCC(C)C3C)c(C)c2c1
InChIInChI=1S/C26H40N2O4S/c1-6-8-15-28(16-9-7-2)33(30,31)21-13-14-24-22(17-21)20(5)25(32-24)26(29)27-23-12-10-11-18(3)19(23)4/h13-14,17-19,23H,6-12,15-16H2,1-5H3,(H,27,29)
InChIKeyUVUKLISULJIOOY-UHFFFAOYSA-N
MW476.68 g/mol
LogP5.89
Rot. Bonds10

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

5-(dibutylsulfamoyl)-N-(2,3-dimethylcyclohexyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 20967859) has the molecular formula C26H40N2O4S and a molecular weight of 476.68 g/mol. Its IUPAC name is 5-(dibutylsulfamoyl)-N-(2,3-dimethylcyclohexyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-(dibutylsulfamoyl)-N-(2,3-dimethylcyclohexyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID20967859
Molecular FormulaC26H40N2O4S
Molecular Weight476.68 g/mol
Exact Mass476.27
IUPAC Name5-(dibutylsulfamoyl)-N-(2,3-dimethylcyclohexyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc2oc(C(=O)NC3CCCC(C)C3C)c(C)c2c1
InChIInChI=1S/C26H40N2O4S/c1-6-8-15-28(16-9-7-2)33(30,31)21-13-14-24-22(17-21)20(5)25(32-24)26(29)27-23-12-10-11-18(3)19(23)4/h13-14,17-19,23H,6-12,15-16H2,1-5H3,(H,27,29)
InChIKeyUVUKLISULJIOOY-UHFFFAOYSA-N
XLogP5.89
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.68
LogP ≤ 55.89
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
N-butyl-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide
CID 22422460
5-(dibutylsulfamoyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
CID 20967856
3-methyl-N-(2-methylcyclohexyl)-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
CID 5220536
5-(dibutylsulfamoyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4081908
5-(diethylsulfamoyl)-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 5240838
5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide
CID 103774296
5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide
CID 103751185
5-(diethylsulfamoyl)-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4048386
N-(2,3-dimethylcyclohexyl)-1'-methylspiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide
CID 22553668
N-[2-[(dimethylamino)methyl]cyclohexyl]-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 110279135
N-(2,3-dimethylcyclohexyl)-4-(dimethylsulfamoyl)benzamide
CID 17388431

Frequently Asked Questions

What is the IUPAC name of 5-(dibutylsulfamoyl)-N-(2,3-dimethylcyclohexyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-(dibutylsulfamoyl)-N-(2,3-dimethylcyclohexyl)-3-methyl-1-benzofuran-2-carboxamide (CID 20967859) is 5-(dibutylsulfamoyl)-N-(2,3-dimethylcyclohexyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-(dibutylsulfamoyl)-N-(2,3-dimethylcyclohexyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-(dibutylsulfamoyl)-N-(2,3-dimethylcyclohexyl)-3-methyl-1-benzofuran-2-carboxamide is CCCCN(CCCC)S(=O)(=O)c1ccc2oc(C(=O)NC3CCCC(C)C3C)c(C)c2c1.
What is the InChIKey of 5-(dibutylsulfamoyl)-N-(2,3-dimethylcyclohexyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is UVUKLISULJIOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O4S/c1-6-8-15-28(16-9-7-2)33(30,31)21-13-14-24-22(17-21)20(5)25(32-24)26(29)27-23-12-10-11-18(3)19(23)4/h13-14,17-19,23H,6-12,15-16H2,1-5H3,(H,27,29).
What are the key properties of 5-(dibutylsulfamoyl)-N-(2,3-dimethylcyclohexyl)-3-methyl-1-benzofuran-2-carboxamide?
5-(dibutylsulfamoyl)-N-(2,3-dimethylcyclohexyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 476.68 g/mol, XLogP of 5.89, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dibutylsulfamoyl)-N-(2,3-dimethylcyclohexyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 20967859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).