N-(4,5-dimethoxy-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide

C18H22N2O6S — CID 18198075

IUPACN-(4,5-dimethoxy-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCOc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N(C)OC)c2)cc1OC
InChIInChI=1S/C18H22N2O6S/c1-12-9-16(24-3)17(25-4)11-15(12)19-18(21)13-7-6-8-14(10-13)27(22,23)20(2)26-5/h6-11H,1-5H3,(H,19,21)
InChIKeyVAEQYQRJFTWSJT-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.45
Rot. Bonds7

About N-(4,5-dimethoxy-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide

N-(4,5-dimethoxy-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide (PubChem CID 18198075) has the molecular formula C18H22N2O6S and a molecular weight of 394.45 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
PubChem CID18198075
Molecular FormulaC18H22N2O6S
Molecular Weight394.45 g/mol
Exact Mass394.12
IUPAC NameN-(4,5-dimethoxy-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCOc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N(C)OC)c2)cc1OC
InChIInChI=1S/C18H22N2O6S/c1-12-9-16(24-3)17(25-4)11-15(12)19-18(21)13-7-6-8-14(10-13)27(22,23)20(2)26-5/h6-11H,1-5H3,(H,19,21)
InChIKeyVAEQYQRJFTWSJT-UHFFFAOYSA-N
XLogP2.45
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-fluoro-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 9208555
3-[methoxy(methyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide
CID 18197948
3-[methoxy(methyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide
CID 9270787
3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476
N-(2-chloro-4-fluorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 51204944
N-(2,6-diethylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18197987
N-(2,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide
CID 2083463
3-[methoxy(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 51250979
2-[[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 34731063
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 34276394
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
3-(dimethylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 2221549

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide?
The IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide (CID 18198075) is N-(4,5-dimethoxy-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(4,5-dimethoxy-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-(4,5-dimethoxy-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide is COc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N(C)OC)c2)cc1OC.
What is the InChIKey of N-(4,5-dimethoxy-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide?
The InChIKey is VAEQYQRJFTWSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6S/c1-12-9-16(24-3)17(25-4)11-15(12)19-18(21)13-7-6-8-14(10-13)27(22,23)20(2)26-5/h6-11H,1-5H3,(H,19,21).
What are the key properties of N-(4,5-dimethoxy-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide?
N-(4,5-dimethoxy-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide has a molecular weight of 394.45 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 18198075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).