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

C17H18N2O6S — CID 24639142

IUPACmethyl 4-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H18N2O6S/c1-24-14-7-9-15(10-8-14)26(22,23)18-11-16(20)19-13-5-3-12(4-6-13)17(21)25-2/h3-10,18H,11H2,1-2H3,(H,19,20)
InChIKeyVDSJQAHUAHWLAW-UHFFFAOYSA-N
MW378.41 g/mol
LogP1.40
Rot. Bonds7

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

methyl 4-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate (PubChem CID 24639142) has the molecular formula C17H18N2O6S and a molecular weight of 378.41 g/mol. Its IUPAC name is methyl 4-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate
PubChem CID24639142
Molecular FormulaC17H18N2O6S
Molecular Weight378.41 g/mol
Exact Mass378.09
IUPAC Namemethyl 4-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H18N2O6S/c1-24-14-7-9-15(10-8-14)26(22,23)18-11-16(20)19-13-5-3-12(4-6-13)17(21)25-2/h3-10,18H,11H2,1-2H3,(H,19,20)
InChIKeyVDSJQAHUAHWLAW-UHFFFAOYSA-N
XLogP1.40
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 112998764
N-(4-methoxyphenyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112998738
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998742
methyl 4-[[2-[(3-methylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 112999985
methyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate
CID 26527056
methyl 4-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzoate
CID 982255
N-(3-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 26584175
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998755
methyl 4-[[2-(1,3-benzodioxol-5-ylsulfonylamino)acetyl]amino]benzoate
CID 112999981
N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 24637643
2-[(4-acetamidophenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998688
4-(ethylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 9411925

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate (CID 24639142) is methyl 4-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of methyl 4-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate?
The InChIKey is VDSJQAHUAHWLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6S/c1-24-14-7-9-15(10-8-14)26(22,23)18-11-16(20)19-13-5-3-12(4-6-13)17(21)25-2/h3-10,18H,11H2,1-2H3,(H,19,20).
What are the key properties of methyl 4-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate?
methyl 4-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate has a molecular weight of 378.41 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate is sourced from PubChem (CID 24639142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).