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

C23H22N2O5S — CID 26886837

IUPACmethyl 3-[[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c1
InChIInChI=1S/C23H22N2O5S/c1-15-7-10-20(13-16(15)2)25-31(28,29)21-11-8-17(9-12-21)22(26)24-19-6-4-5-18(14-19)23(27)30-3/h4-14,25H,1-3H3,(H,24,26)
InChIKeyLODYGEAQABQEHB-UHFFFAOYSA-N
MW438.51 g/mol
LogP4.14
Rot. Bonds6

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

methyl 3-[[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]benzoate (PubChem CID 26886837) has the molecular formula C23H22N2O5S and a molecular weight of 438.51 g/mol. Its IUPAC name is methyl 3-[[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]benzoate
PubChem CID26886837
Molecular FormulaC23H22N2O5S
Molecular Weight438.51 g/mol
Exact Mass438.12
IUPAC Namemethyl 3-[[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c1
InChIInChI=1S/C23H22N2O5S/c1-15-7-10-20(13-16(15)2)25-31(28,29)21-11-8-17(9-12-21)22(26)24-19-6-4-5-18(14-19)23(27)30-3/h4-14,25H,1-3H3,(H,24,26)
InChIKeyLODYGEAQABQEHB-UHFFFAOYSA-N
XLogP4.14
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 26579304
N-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26593901
methyl 3-[[2-methyl-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 26886954
methyl 3-[[3-methyl-4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 19061768
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 1310856
methyl 3-[(4-iodophenyl)sulfonylamino]benzoate
CID 43423389
N-(3-acetamido-4-methoxyphenyl)-4-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 24666750
3-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 4940243
3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 126414918
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126415351
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(methylsulfamoyl)benzamide
CID 31307957
methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 2676546

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]benzoate?
The IUPAC name of methyl 3-[[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]benzoate (CID 26886837) is methyl 3-[[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]benzoate?
The canonical SMILES for methyl 3-[[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]benzoate is COC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c1.
What is the InChIKey of methyl 3-[[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]benzoate?
The InChIKey is LODYGEAQABQEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5S/c1-15-7-10-20(13-16(15)2)25-31(28,29)21-11-8-17(9-12-21)22(26)24-19-6-4-5-18(14-19)23(27)30-3/h4-14,25H,1-3H3,(H,24,26).
What are the key properties of methyl 3-[[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]benzoate?
methyl 3-[[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]benzoate has a molecular weight of 438.51 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]benzoate is sourced from PubChem (CID 26886837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).