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

C23H22N2O5S — CID 2980517

IUPACmethyl 2-methyl-3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)c1C
InChIInChI=1S/C23H22N2O5S/c1-15-11-13-17(14-12-15)31(28,29)25-21-9-5-4-7-19(21)22(26)24-20-10-6-8-18(16(20)2)23(27)30-3/h4-14,25H,1-3H3,(H,24,26)
InChIKeyYLDIAAGWXWOPDI-UHFFFAOYSA-N
MW438.51 g/mol
LogP4.14
Rot. Bonds6

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

methyl 2-methyl-3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate (PubChem CID 2980517) has the molecular formula C23H22N2O5S and a molecular weight of 438.51 g/mol. Its IUPAC name is methyl 2-methyl-3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
PubChem CID2980517
Molecular FormulaC23H22N2O5S
Molecular Weight438.51 g/mol
Exact Mass438.12
IUPAC Namemethyl 2-methyl-3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)c1C
InChIInChI=1S/C23H22N2O5S/c1-15-11-13-17(14-12-15)31(28,29)25-21-9-5-4-7-19(21)22(26)24-20-10-6-8-18(16(20)2)23(27)30-3/h4-14,25H,1-3H3,(H,24,26)
InChIKeyYLDIAAGWXWOPDI-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

methyl 3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate
CID 2974111
methyl 3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-5-phenylthiophene-2-carboxylate
CID 3268360
methyl 3-[(4-acetamidophenyl)sulfonylamino]-2-methylbenzoate
CID 1290039
N-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 126385456
N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 1289212
2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)benzamide
CID 2334087
N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 3521473
methyl 2-[(4-iodophenyl)sulfonylamino]benzoate
CID 43423372
N-(2,6-dimethylphenyl)-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062451
N-[2-(benzylcarbamoyl)phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062457
4-methyl-N-[2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzenesulfonamide
CID 4711775
2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 3976213

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate?
The IUPAC name of methyl 2-methyl-3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate (CID 2980517) is methyl 2-methyl-3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate.
What is the SMILES notation for methyl 2-methyl-3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate?
The canonical SMILES for methyl 2-methyl-3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate is COC(=O)c1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)c1C.
What is the InChIKey of methyl 2-methyl-3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate?
The InChIKey is YLDIAAGWXWOPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5S/c1-15-11-13-17(14-12-15)31(28,29)25-21-9-5-4-7-19(21)22(26)24-20-10-6-8-18(16(20)2)23(27)30-3/h4-14,25H,1-3H3,(H,24,26).
What are the key properties of methyl 2-methyl-3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate?
methyl 2-methyl-3-[[2-[(4-methylphenyl)sulfonylamino]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 2-methyl-3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate is sourced from PubChem (CID 2980517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).