ethyl 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]benzoate

C18H20N2O6S — CID 26969690

IUPACethyl 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1
InChIInChI=1S/C18H20N2O6S/c1-4-26-18(22)14-7-5-6-8-15(14)20-27(23,24)13-9-10-17(25-3)16(11-13)19-12(2)21/h5-11,20H,4H2,1-3H3,(H,19,21)
InChIKeyWNYZFFPROAYPAG-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.63
Rot. Bonds7

About ethyl 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]benzoate

ethyl 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]benzoate (PubChem CID 26969690) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is ethyl 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]benzoate
PubChem CID26969690
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Nameethyl 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1
InChIInChI=1S/C18H20N2O6S/c1-4-26-18(22)14-7-5-6-8-15(14)20-27(23,24)13-9-10-17(25-3)16(11-13)19-12(2)21/h5-11,20H,4H2,1-3H3,(H,19,21)
InChIKeyWNYZFFPROAYPAG-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-propylbenzamide
CID 4792730
2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 71903202
2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
CID 31324729
ethyl 2-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate
CID 95969690
N-[5-[[2-(4-ethoxyphenoxy)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 17426332
N-[2-methoxy-5-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 7343262
ethyl 2-[(4-bromo-3-methylphenyl)sulfonylamino]benzoate
CID 2696978
N-[4-[(2-acetylphenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 8603481
dimethyl 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]benzene-1,4-dicarboxylate
CID 92510603
N-[2-methoxy-5-[(2-phenoxyphenyl)sulfamoyl]phenyl]acetamide
CID 71903158
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 42967797
N-[5-[[2-(2-chlorophenoxy)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 24514729

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]benzoate?
The IUPAC name of ethyl 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]benzoate (CID 26969690) is ethyl 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]benzoate.
What is the SMILES notation for ethyl 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]benzoate?
The canonical SMILES for ethyl 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]benzoate is CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1.
What is the InChIKey of ethyl 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]benzoate?
The InChIKey is WNYZFFPROAYPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-4-26-18(22)14-7-5-6-8-15(14)20-27(23,24)13-9-10-17(25-3)16(11-13)19-12(2)21/h5-11,20H,4H2,1-3H3,(H,19,21).
What are the key properties of ethyl 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]benzoate?
ethyl 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]benzoate has a molecular weight of 392.43 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 26969690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).