N-methyl-3-[(2-methylphenyl)sulfonylcarbamoylamino]benzamide

C16H17N3O4S — CID 22564924

IUPACN-methyl-3-[(2-methylphenyl)sulfonylcarbamoylamino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccccc2C)c1
InChIInChI=1S/C16H17N3O4S/c1-11-6-3-4-9-14(11)24(22,23)19-16(21)18-13-8-5-7-12(10-13)15(20)17-2/h3-10H,1-2H3,(H,17,20)(H2,18,19,21)
InChIKeyAEILGZQOYGGXPB-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.87
Rot. Bonds4

About N-methyl-3-[(2-methylphenyl)sulfonylcarbamoylamino]benzamide

N-methyl-3-[(2-methylphenyl)sulfonylcarbamoylamino]benzamide (PubChem CID 22564924) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-methyl-3-[(2-methylphenyl)sulfonylcarbamoylamino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[(2-methylphenyl)sulfonylcarbamoylamino]benzamide
PubChem CID22564924
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC NameN-methyl-3-[(2-methylphenyl)sulfonylcarbamoylamino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccccc2C)c1
InChIInChI=1S/C16H17N3O4S/c1-11-6-3-4-9-14(11)24(22,23)19-16(21)18-13-8-5-7-12(10-13)15(20)17-2/h3-10H,1-2H3,(H,17,20)(H2,18,19,21)
InChIKeyAEILGZQOYGGXPB-UHFFFAOYSA-N
XLogP1.87
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonylcarbamoylamino)-N-methylbenzamide
CID 22564876
N-butyl-3-[(2-methylphenyl)sulfonylcarbamoylamino]benzamide
CID 22564745
3-[(2-methylphenyl)sulfonylamino]benzamide
CID 63000187
N-methyl-3-[(2-methylphenyl)methylamino]benzamide
CID 28650229
N,4-dimethyl-3-(phenylsulfamoyl)benzamide
CID 3894784
3-methyl-N-[3-(phenylcarbamoylsulfamoyl)phenyl]benzamide
CID 139878378
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848
N-methyl-3-(3-methylbutan-2-ylcarbamoylamino)benzamide
CID 51080300
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
N-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846159
N-(2-ethoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]benzamide
CID 1020106
3-[(3-methylphenyl)sulfonylcarbamoylamino]benzoic acid
CID 90959101

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2-methylphenyl)sulfonylcarbamoylamino]benzamide?
The IUPAC name of N-methyl-3-[(2-methylphenyl)sulfonylcarbamoylamino]benzamide (CID 22564924) is N-methyl-3-[(2-methylphenyl)sulfonylcarbamoylamino]benzamide.
What is the SMILES notation for N-methyl-3-[(2-methylphenyl)sulfonylcarbamoylamino]benzamide?
The canonical SMILES for N-methyl-3-[(2-methylphenyl)sulfonylcarbamoylamino]benzamide is CNC(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccccc2C)c1.
What is the InChIKey of N-methyl-3-[(2-methylphenyl)sulfonylcarbamoylamino]benzamide?
The InChIKey is AEILGZQOYGGXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-11-6-3-4-9-14(11)24(22,23)19-16(21)18-13-8-5-7-12(10-13)15(20)17-2/h3-10H,1-2H3,(H,17,20)(H2,18,19,21).
What are the key properties of N-methyl-3-[(2-methylphenyl)sulfonylcarbamoylamino]benzamide?
N-methyl-3-[(2-methylphenyl)sulfonylcarbamoylamino]benzamide has a molecular weight of 347.40 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2-methylphenyl)sulfonylcarbamoylamino]benzamide is sourced from PubChem (CID 22564924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).