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

C24H36N2O4S — CID 20967860

IUPACN-cyclohexyl-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc2oc(C(=O)NC3CCCCC3)c(C)c2c1
InChIInChI=1S/C24H36N2O4S/c1-4-6-15-26(16-7-5-2)31(28,29)20-13-14-22-21(17-20)18(3)23(30-22)24(27)25-19-11-9-8-10-12-19/h13-14,17,19H,4-12,15-16H2,1-3H3,(H,25,27)
InChIKeyUKJJYUZZTLLQIZ-UHFFFAOYSA-N
MW448.63 g/mol
LogP5.39
Rot. Bonds10

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

N-cyclohexyl-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 20967860) has the molecular formula C24H36N2O4S and a molecular weight of 448.63 g/mol. Its IUPAC name is N-cyclohexyl-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID20967860
Molecular FormulaC24H36N2O4S
Molecular Weight448.63 g/mol
Exact Mass448.24
IUPAC NameN-cyclohexyl-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc2oc(C(=O)NC3CCCCC3)c(C)c2c1
InChIInChI=1S/C24H36N2O4S/c1-4-6-15-26(16-7-5-2)31(28,29)20-13-14-22-21(17-20)18(3)23(30-22)24(27)25-19-11-9-8-10-12-19/h13-14,17,19H,4-12,15-16H2,1-3H3,(H,25,27)
InChIKeyUKJJYUZZTLLQIZ-UHFFFAOYSA-N
XLogP5.39
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.63
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(dibutylsulfamoyl)-N-(2,3-dimethylcyclohexyl)-3-methyl-1-benzofuran-2-carboxamide
CID 20967859
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
N-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 16648842
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
N-(3-chloro-4-methoxyphenyl)-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4081907
N-cyclohexyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2671520
5-[butyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 4286540
N-cycloheptyl-4-(dipropylsulfamoyl)benzamide
CID 109061201
N-cyclopropyl-5-[(4-fluorophenyl)methylsulfonyl]-3-methyl-1-benzofuran-2-carboxamide
CID 58356257
5-(diethylsulfamoyl)-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4048386

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-cyclohexyl-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide (CID 20967860) is N-cyclohexyl-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide is CCCCN(CCCC)S(=O)(=O)c1ccc2oc(C(=O)NC3CCCCC3)c(C)c2c1.
What is the InChIKey of N-cyclohexyl-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is UKJJYUZZTLLQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O4S/c1-4-6-15-26(16-7-5-2)31(28,29)20-13-14-22-21(17-20)18(3)23(30-22)24(27)25-19-11-9-8-10-12-19/h13-14,17,19H,4-12,15-16H2,1-3H3,(H,25,27).
What are the key properties of N-cyclohexyl-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide?
N-cyclohexyl-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 448.63 g/mol, XLogP of 5.39, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 20967860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).