2-methoxy-N-methyl-5-[[2-(2-methylimidazol-1-yl)phenyl]methylsulfamoyl]benzamide

C20H22N4O4S — CID 92678172

IUPAC2-methoxy-N-methyl-5-[[2-(2-methylimidazol-1-yl)phenyl]methylsulfamoyl]benzamide
SMILESCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2-n2ccnc2C)ccc1OC
InChIInChI=1S/C20H22N4O4S/c1-14-22-10-11-24(14)18-7-5-4-6-15(18)13-23-29(26,27)16-8-9-19(28-3)17(12-16)20(25)21-2/h4-12,23H,13H2,1-3H3,(H,21,25)
InChIKeyMNVIGYGVGIBJQL-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.03
Rot. Bonds7

About 2-methoxy-N-methyl-5-[[2-(2-methylimidazol-1-yl)phenyl]methylsulfamoyl]benzamide

2-methoxy-N-methyl-5-[[2-(2-methylimidazol-1-yl)phenyl]methylsulfamoyl]benzamide (PubChem CID 92678172) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 2-methoxy-N-methyl-5-[[2-(2-methylimidazol-1-yl)phenyl]methylsulfamoyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-5-[[2-(2-methylimidazol-1-yl)phenyl]methylsulfamoyl]benzamide
PubChem CID92678172
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Name2-methoxy-N-methyl-5-[[2-(2-methylimidazol-1-yl)phenyl]methylsulfamoyl]benzamide
SMILESCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2-n2ccnc2C)ccc1OC
InChIInChI=1S/C20H22N4O4S/c1-14-22-10-11-24(14)18-7-5-4-6-15(18)13-23-29(26,27)16-8-9-19(28-3)17(12-16)20(25)21-2/h4-12,23H,13H2,1-3H3,(H,21,25)
InChIKeyMNVIGYGVGIBJQL-UHFFFAOYSA-N
XLogP2.03
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 46771117
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 43909080
5-[(2-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide
CID 53282833
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 46764245
5-(benzylsulfamoyl)-2-methoxy-N-methylbenzamide
CID 6471587
4-chloro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 92679891
4-fluoro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 38013699
2-methoxy-N-methyl-5-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 53282747
5-[(4-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide
CID 46763335
3-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 28568439
5-(azepan-1-ylsulfonyl)-2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 30385578
3,5-dichloro-4-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 51126235

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-5-[[2-(2-methylimidazol-1-yl)phenyl]methylsulfamoyl]benzamide?
The IUPAC name of 2-methoxy-N-methyl-5-[[2-(2-methylimidazol-1-yl)phenyl]methylsulfamoyl]benzamide (CID 92678172) is 2-methoxy-N-methyl-5-[[2-(2-methylimidazol-1-yl)phenyl]methylsulfamoyl]benzamide.
What is the SMILES notation for 2-methoxy-N-methyl-5-[[2-(2-methylimidazol-1-yl)phenyl]methylsulfamoyl]benzamide?
The canonical SMILES for 2-methoxy-N-methyl-5-[[2-(2-methylimidazol-1-yl)phenyl]methylsulfamoyl]benzamide is CNC(=O)c1cc(S(=O)(=O)NCc2ccccc2-n2ccnc2C)ccc1OC.
What is the InChIKey of 2-methoxy-N-methyl-5-[[2-(2-methylimidazol-1-yl)phenyl]methylsulfamoyl]benzamide?
The InChIKey is MNVIGYGVGIBJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-14-22-10-11-24(14)18-7-5-4-6-15(18)13-23-29(26,27)16-8-9-19(28-3)17(12-16)20(25)21-2/h4-12,23H,13H2,1-3H3,(H,21,25).
What are the key properties of 2-methoxy-N-methyl-5-[[2-(2-methylimidazol-1-yl)phenyl]methylsulfamoyl]benzamide?
2-methoxy-N-methyl-5-[[2-(2-methylimidazol-1-yl)phenyl]methylsulfamoyl]benzamide has a molecular weight of 414.49 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-5-[[2-(2-methylimidazol-1-yl)phenyl]methylsulfamoyl]benzamide is sourced from PubChem (CID 92678172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).