methyl 2-[[2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetyl]amino]benzoate

C18H20N2O6S — CID 112999849

IUPACmethyl 2-[[2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CNS(=O)(=O)c1ccc(OC)cc1C
InChIInChI=1S/C18H20N2O6S/c1-12-10-13(25-2)8-9-16(12)27(23,24)19-11-17(21)20-15-7-5-4-6-14(15)18(22)26-3/h4-10,19H,11H2,1-3H3,(H,20,21)
InChIKeyONBIKGGWJKMELW-UHFFFAOYSA-N
MW392.43 g/mol
LogP1.71
Rot. Bonds7

About methyl 2-[[2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetyl]amino]benzoate

methyl 2-[[2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetyl]amino]benzoate (PubChem CID 112999849) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is methyl 2-[[2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetyl]amino]benzoate
PubChem CID112999849
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Namemethyl 2-[[2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CNS(=O)(=O)c1ccc(OC)cc1C
InChIInChI=1S/C18H20N2O6S/c1-12-10-13(25-2)8-9-16(12)27(23,24)19-11-17(21)20-15-7-5-4-6-14(15)18(22)26-3/h4-10,19H,11H2,1-3H3,(H,20,21)
InChIKeyONBIKGGWJKMELW-UHFFFAOYSA-N
XLogP1.71
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetamidophenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112999711
2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-(2-ethoxyphenyl)acetamide
CID 112998835
N-(4-tert-butylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112997613
N-(3-acetylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112999558
N-(2-chlorophenyl)-2-[(2,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 112997799
N-(2-methoxyethyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112991177
2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide
CID 112990585
2-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 112996080
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide
CID 26943206
N-(2-cyanophenyl)-2-[(2,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 113001883
2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112993591
N-[dimethyl(oxo)-λ6-sulfanylidene]-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 126840923

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetyl]amino]benzoate (CID 112999849) is methyl 2-[[2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CNS(=O)(=O)c1ccc(OC)cc1C.
What is the InChIKey of methyl 2-[[2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetyl]amino]benzoate?
The InChIKey is ONBIKGGWJKMELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-12-10-13(25-2)8-9-16(12)27(23,24)19-11-17(21)20-15-7-5-4-6-14(15)18(22)26-3/h4-10,19H,11H2,1-3H3,(H,20,21).
What are the key properties of methyl 2-[[2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetyl]amino]benzoate?
methyl 2-[[2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetyl]amino]benzoate has a molecular weight of 392.43 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetyl]amino]benzoate is sourced from PubChem (CID 112999849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).