methyl 3-[[2-methyl-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate

C23H22N2O5S — CID 26886954

IUPACmethyl 3-[[2-methyl-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc2C)c1
InChIInChI=1S/C23H22N2O5S/c1-15-7-10-18(11-8-15)25-31(28,29)20-12-9-16(2)21(14-20)22(26)24-19-6-4-5-17(13-19)23(27)30-3/h4-14,25H,1-3H3,(H,24,26)
InChIKeyWODAVNSOSJNWJN-UHFFFAOYSA-N
MW438.51 g/mol
LogP4.14
Rot. Bonds6

About methyl 3-[[2-methyl-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate

methyl 3-[[2-methyl-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate (PubChem CID 26886954) has the molecular formula C23H22N2O5S and a molecular weight of 438.51 g/mol. Its IUPAC name is methyl 3-[[2-methyl-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-methyl-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
PubChem CID26886954
Molecular FormulaC23H22N2O5S
Molecular Weight438.51 g/mol
Exact Mass438.12
IUPAC Namemethyl 3-[[2-methyl-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc2C)c1
InChIInChI=1S/C23H22N2O5S/c1-15-7-10-18(11-8-15)25-31(28,29)20-12-9-16(2)21(14-20)22(26)24-19-6-4-5-17(13-19)23(27)30-3/h4-14,25H,1-3H3,(H,24,26)
InChIKeyWODAVNSOSJNWJN-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

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Related Compounds

5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide
CID 9341864
methyl 3-[[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 26886837
methyl 3-[[3-methyl-4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 19061768
N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 51163000
methyl 3-[(5-bromo-2-methylbenzoyl)amino]benzoate
CID 65311803
methyl 3-[[5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoyl]amino]benzoate
CID 34059714
2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 51297733
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
N-(2,5-dimethylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 29169048
methyl 3-[(4-iodophenyl)sulfonylamino]benzoate
CID 43423389
methyl 3-[(4-aminophenyl)sulfamoyl]benzoate
CID 21060733
N-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 30796988

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-methyl-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-methyl-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate (CID 26886954) is methyl 3-[[2-methyl-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-methyl-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-methyl-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate is COC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc2C)c1.
What is the InChIKey of methyl 3-[[2-methyl-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate?
The InChIKey is WODAVNSOSJNWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5S/c1-15-7-10-18(11-8-15)25-31(28,29)20-12-9-16(2)21(14-20)22(26)24-19-6-4-5-17(13-19)23(27)30-3/h4-14,25H,1-3H3,(H,24,26).
What are the key properties of methyl 3-[[2-methyl-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate?
methyl 3-[[2-methyl-5-[(4-methylphenyl)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-[[2-methyl-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate is sourced from PubChem (CID 26886954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).