2-methoxy-N-methyl-5-[(3-methylphenyl)methylsulfamoyl]benzamide

C17H20N2O4S — CID 53282747

IUPAC2-methoxy-N-methyl-5-[(3-methylphenyl)methylsulfamoyl]benzamide
SMILESCNC(=O)c1cc(S(=O)(=O)NCc2cccc(C)c2)ccc1OC
InChIInChI=1S/C17H20N2O4S/c1-12-5-4-6-13(9-12)11-19-24(21,22)14-7-8-16(23-3)15(10-14)17(20)18-2/h4-10,19H,11H2,1-3H3,(H,18,20)
InChIKeyPVAUGNAKOTUCPH-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.84
Rot. Bonds6

About 2-methoxy-N-methyl-5-[(3-methylphenyl)methylsulfamoyl]benzamide

2-methoxy-N-methyl-5-[(3-methylphenyl)methylsulfamoyl]benzamide (PubChem CID 53282747) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-methoxy-N-methyl-5-[(3-methylphenyl)methylsulfamoyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-5-[(3-methylphenyl)methylsulfamoyl]benzamide
PubChem CID53282747
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-methoxy-N-methyl-5-[(3-methylphenyl)methylsulfamoyl]benzamide
SMILESCNC(=O)c1cc(S(=O)(=O)NCc2cccc(C)c2)ccc1OC
InChIInChI=1S/C17H20N2O4S/c1-12-5-4-6-13(9-12)11-19-24(21,22)14-7-8-16(23-3)15(10-14)17(20)18-2/h4-10,19H,11H2,1-3H3,(H,18,20)
InChIKeyPVAUGNAKOTUCPH-UHFFFAOYSA-N
XLogP1.84
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-[(3-methylphenyl)methylsulfamoyl]-N-propan-2-ylbenzamide
CID 53283069
5-(benzylsulfamoyl)-2-methoxy-N-methylbenzamide
CID 6471587
5-[(4-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide
CID 46763335
4-amino-3-methoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 81440806
5-[(2-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide
CID 53282833
5-amino-2-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 61103300
3,4-diethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 30788428
N-[(3-aminophenyl)methyl]-4-methoxy-3-methylbenzenesulfonamide
CID 43593541
2-methoxy-N-methyl-5-[[2-(2-methylimidazol-1-yl)phenyl]methylsulfamoyl]benzamide
CID 92678172
5-(benzylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
CID 46550879
methyl 3-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate
CID 44819893
N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbenzenesulfonamide
CID 110779866

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-5-[(3-methylphenyl)methylsulfamoyl]benzamide?
The IUPAC name of 2-methoxy-N-methyl-5-[(3-methylphenyl)methylsulfamoyl]benzamide (CID 53282747) is 2-methoxy-N-methyl-5-[(3-methylphenyl)methylsulfamoyl]benzamide.
What is the SMILES notation for 2-methoxy-N-methyl-5-[(3-methylphenyl)methylsulfamoyl]benzamide?
The canonical SMILES for 2-methoxy-N-methyl-5-[(3-methylphenyl)methylsulfamoyl]benzamide is CNC(=O)c1cc(S(=O)(=O)NCc2cccc(C)c2)ccc1OC.
What is the InChIKey of 2-methoxy-N-methyl-5-[(3-methylphenyl)methylsulfamoyl]benzamide?
The InChIKey is PVAUGNAKOTUCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-12-5-4-6-13(9-12)11-19-24(21,22)14-7-8-16(23-3)15(10-14)17(20)18-2/h4-10,19H,11H2,1-3H3,(H,18,20).
What are the key properties of 2-methoxy-N-methyl-5-[(3-methylphenyl)methylsulfamoyl]benzamide?
2-methoxy-N-methyl-5-[(3-methylphenyl)methylsulfamoyl]benzamide has a molecular weight of 348.42 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-5-[(3-methylphenyl)methylsulfamoyl]benzamide is sourced from PubChem (CID 53282747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).