N-(2,4-dimethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide

C18H22N2O6S — CID 109063596

IUPACN-(2,4-dimethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)cc2OC)c1
InChIInChI=1S/C18H22N2O6S/c1-24-10-9-19-27(22,23)15-6-4-5-13(11-15)18(21)20-16-8-7-14(25-2)12-17(16)26-3/h4-8,11-12,19H,9-10H2,1-3H3,(H,20,21)
InChIKeyOEKHULVKKBIFPR-UHFFFAOYSA-N
MW394.45 g/mol
LogP1.88
Rot. Bonds9

About N-(2,4-dimethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide

N-(2,4-dimethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 109063596) has the molecular formula C18H22N2O6S and a molecular weight of 394.45 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
PubChem CID109063596
Molecular FormulaC18H22N2O6S
Molecular Weight394.45 g/mol
Exact Mass394.12
IUPAC NameN-(2,4-dimethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)cc2OC)c1
InChIInChI=1S/C18H22N2O6S/c1-24-10-9-19-27(22,23)15-6-4-5-13(11-15)18(21)20-16-8-7-14(25-2)12-17(16)26-3/h4-8,11-12,19H,9-10H2,1-3H3,(H,20,21)
InChIKeyOEKHULVKKBIFPR-UHFFFAOYSA-N
XLogP1.88
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 24536388
3-(2-methoxyethylsulfamoyl)-N-(3-methoxyphenyl)benzamide
CID 55565688
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 46581552
3-N-(2,4-dimethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052609
3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
CID 6463975
N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)benzamide
CID 7603182
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
3-[(2,5-dimethoxyphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109063687
3-(ethylsulfamoyl)-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 33069732
N-(2-tert-butylphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 109063589
N-(2-methoxyphenyl)-3-(pentylsulfamoyl)benzamide
CID 109065384
N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 119438772

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide (CID 109063596) is N-(2,4-dimethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide is COCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)cc2OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is OEKHULVKKBIFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6S/c1-24-10-9-19-27(22,23)15-6-4-5-13(11-15)18(21)20-16-8-7-14(25-2)12-17(16)26-3/h4-8,11-12,19H,9-10H2,1-3H3,(H,20,21).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide?
N-(2,4-dimethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 394.45 g/mol, XLogP of 1.88, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 109063596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).