N-[3-(cyanomethoxy)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide

C17H17N3O4S — CID 55752004

IUPACN-[3-(cyanomethoxy)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(OCC#N)c2)c1
InChIInChI=1S/C17H17N3O4S/c1-12-6-7-15(25(22,23)19-2)11-16(12)17(21)20-13-4-3-5-14(10-13)24-9-8-18/h3-7,10-11,19H,9H2,1-2H3,(H,20,21)
InChIKeyQDBRFBPUINTRNV-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.06
Rot. Bonds6

About N-[3-(cyanomethoxy)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide

N-[3-(cyanomethoxy)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide (PubChem CID 55752004) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-[3-(cyanomethoxy)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-(cyanomethoxy)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
PubChem CID55752004
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN-[3-(cyanomethoxy)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(OCC#N)c2)c1
InChIInChI=1S/C17H17N3O4S/c1-12-6-7-15(25(22,23)19-2)11-16(12)17(21)20-13-4-3-5-14(10-13)24-9-8-18/h3-7,10-11,19H,9H2,1-2H3,(H,20,21)
InChIKeyQDBRFBPUINTRNV-UHFFFAOYSA-N
XLogP2.06
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(cyanomethoxy)phenyl]-2-hydroxy-3-methylbenzamide
CID 43369137
2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 51297733
N-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide
CID 103714251
N-[4-(cyanomethyl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 35708143
N-(4-ethoxyphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297742
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
[3-(cyanomethoxy)phenyl]urea
CID 43369607
5-chloro-N-[3-(cyanomethoxy)phenyl]-2-hydroxybenzamide
CID 43369133
5-amino-2-bromo-N-[3-(cyanomethoxy)phenyl]benzamide
CID 115297134
3-(benzenesulfonamido)-N-[3-(cyanomethoxy)phenyl]benzamide
CID 55973067
N-[3-(cyanomethoxy)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 55800306
1-[3-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea
CID 43369603

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyanomethoxy)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide?
The IUPAC name of N-[3-(cyanomethoxy)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide (CID 55752004) is N-[3-(cyanomethoxy)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-(cyanomethoxy)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[3-(cyanomethoxy)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(OCC#N)c2)c1.
What is the InChIKey of N-[3-(cyanomethoxy)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide?
The InChIKey is QDBRFBPUINTRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-12-6-7-15(25(22,23)19-2)11-16(12)17(21)20-13-4-3-5-14(10-13)24-9-8-18/h3-7,10-11,19H,9H2,1-2H3,(H,20,21).
What are the key properties of N-[3-(cyanomethoxy)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide?
N-[3-(cyanomethoxy)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide has a molecular weight of 359.41 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyanomethoxy)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 55752004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).