methyl 4-[[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzoate

C24H24N2O5S — CID 55348950

IUPACmethyl 4-[[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)Nc3cccc(C)c3C)cc2)cc1
InChIInChI=1S/C24H24N2O5S/c1-16-5-4-6-22(17(16)2)26-32(29,30)21-13-11-19(12-14-21)23(27)25-15-18-7-9-20(10-8-18)24(28)31-3/h4-14,26H,15H2,1-3H3,(H,25,27)
InChIKeyYVRIRXYVVGOGKL-UHFFFAOYSA-N
MW452.53 g/mol
LogP3.82
Rot. Bonds7

About methyl 4-[[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzoate

methyl 4-[[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzoate (PubChem CID 55348950) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is methyl 4-[[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzoate
PubChem CID55348950
Molecular FormulaC24H24N2O5S
Molecular Weight452.53 g/mol
Exact Mass452.14
IUPAC Namemethyl 4-[[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)Nc3cccc(C)c3C)cc2)cc1
InChIInChI=1S/C24H24N2O5S/c1-16-5-4-6-22(17(16)2)26-32(29,30)21-13-11-19(12-14-21)23(27)25-15-18-7-9-20(10-8-18)24(28)31-3/h4-14,26H,15H2,1-3H3,(H,25,27)
InChIKeyYVRIRXYVVGOGKL-UHFFFAOYSA-N
XLogP3.82
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzoate with MolForge

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Related Compounds

4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 60574259
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 55523190
N-butyl-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 9414249
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 26447459
N-[2-(dimethylamino)ethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 109060082
2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]ethyl-diethylazanium
CID 9315050
N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 27032355
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-ethyl-6-methylphenyl)benzamide
CID 112770782
4-[(2-chlorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 9046795
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56558119
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide
CID 9411974
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide
CID 27040602

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzoate (CID 55348950) is methyl 4-[[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)Nc3cccc(C)c3C)cc2)cc1.
What is the InChIKey of methyl 4-[[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzoate?
The InChIKey is YVRIRXYVVGOGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S/c1-16-5-4-6-22(17(16)2)26-32(29,30)21-13-11-19(12-14-21)23(27)25-15-18-7-9-20(10-8-18)24(28)31-3/h4-14,26H,15H2,1-3H3,(H,25,27).
What are the key properties of methyl 4-[[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzoate?
methyl 4-[[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzoate has a molecular weight of 452.53 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzoate is sourced from PubChem (CID 55348950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).