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

C25H31ClN2O5S — CID 4081907

IUPACN-(3-chloro-4-methoxyphenyl)-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc2oc(C(=O)Nc3ccc(OC)c(Cl)c3)c(C)c2c1
InChIInChI=1S/C25H31ClN2O5S/c1-5-7-13-28(14-8-6-2)34(30,31)19-10-12-22-20(16-19)17(3)24(33-22)25(29)27-18-9-11-23(32-4)21(26)15-18/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,27,29)
InChIKeyIYBVBUFRRCHEJP-UHFFFAOYSA-N
MW507.05 g/mol
LogP6.25
Rot. Bonds11

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

N-(3-chloro-4-methoxyphenyl)-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 4081907) has the molecular formula C25H31ClN2O5S and a molecular weight of 507.05 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID4081907
Molecular FormulaC25H31ClN2O5S
Molecular Weight507.05 g/mol
Exact Mass506.16
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc2oc(C(=O)Nc3ccc(OC)c(Cl)c3)c(C)c2c1
InChIInChI=1S/C25H31ClN2O5S/c1-5-7-13-28(14-8-6-2)34(30,31)19-10-12-22-20(16-19)17(3)24(33-22)25(29)27-18-9-11-23(32-4)21(26)15-18/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,27,29)
InChIKeyIYBVBUFRRCHEJP-UHFFFAOYSA-N
XLogP6.25
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.05
LogP ≤ 56.25
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-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide
CID 4277649
5-(diethylsulfamoyl)-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4048386
N-cyclohexyl-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide
CID 20967860
5-(dibutylsulfamoyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
CID 20967856
5-(dibutylsulfamoyl)-N-(2,3-dimethylcyclohexyl)-3-methyl-1-benzofuran-2-carboxamide
CID 20967859
3-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide
CID 100560021
N-(3-chloro-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2679149
5-bromo-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 55343089
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
5-bromo-N-(4-methoxy-3-sulfamoylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 26921628

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide (CID 4081907) is N-(3-chloro-4-methoxyphenyl)-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide is CCCCN(CCCC)S(=O)(=O)c1ccc2oc(C(=O)Nc3ccc(OC)c(Cl)c3)c(C)c2c1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is IYBVBUFRRCHEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN2O5S/c1-5-7-13-28(14-8-6-2)34(30,31)19-10-12-22-20(16-19)17(3)24(33-22)25(29)27-18-9-11-23(32-4)21(26)15-18/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,27,29).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide?
N-(3-chloro-4-methoxyphenyl)-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 507.05 g/mol, XLogP of 6.25, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4081907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).