ethyl 4-[[2-[(4-cyanophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate

C19H18N2O6S — CID 7725584

IUPACethyl 4-[[2-[(4-cyanophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NCC(=O)OCc2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H18N2O6S/c1-2-26-19(23)16-7-9-17(10-8-16)28(24,25)21-12-18(22)27-13-15-5-3-14(11-20)4-6-15/h3-10,21H,2,12-13H2,1H3
InChIKeyXIVZYZCOYUCQEG-UHFFFAOYSA-N
MW402.43 g/mol
LogP1.76
Rot. Bonds8

About ethyl 4-[[2-[(4-cyanophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate

ethyl 4-[[2-[(4-cyanophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate (PubChem CID 7725584) has the molecular formula C19H18N2O6S and a molecular weight of 402.43 g/mol. Its IUPAC name is ethyl 4-[[2-[(4-cyanophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[(4-cyanophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate
PubChem CID7725584
Molecular FormulaC19H18N2O6S
Molecular Weight402.43 g/mol
Exact Mass402.09
IUPAC Nameethyl 4-[[2-[(4-cyanophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NCC(=O)OCc2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H18N2O6S/c1-2-26-19(23)16-7-9-17(10-8-16)28(24,25)21-12-18(22)27-13-15-5-3-14(11-20)4-6-15/h3-10,21H,2,12-13H2,1H3
InChIKeyXIVZYZCOYUCQEG-UHFFFAOYSA-N
XLogP1.76
TPSA122.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[[2-[(4-chlorophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate
CID 7725585
[4-(trifluoromethyl)phenyl]methyl 2-[(4-cyanophenyl)sulfonylamino]acetate
CID 39605970
(4-cyanophenyl)methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 8664523
(4-cyanophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate
CID 7906463
(4-cyanophenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 3665647
methyl 4-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate
CID 60817086
(3-fluoro-4-methoxyphenyl)methyl 2-[(4-cyanophenyl)sulfonylamino]acetate
CID 7679394
ethyl 4-(azanylidyne(113C)methyl)benzoate
CID 10442221
(4-pyrazol-1-ylphenyl)methyl 2-[(4-cyanophenyl)sulfonylamino]acetate
CID 39605961
(4-cyanophenyl)methyl 4-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 2368222
2-(4-methylphenoxy)ethyl 2-[(4-cyanophenyl)sulfonylamino]acetate
CID 7679281
(4-cyanophenyl)methyl 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 46509010

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[(4-cyanophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate?
The IUPAC name of ethyl 4-[[2-[(4-cyanophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate (CID 7725584) is ethyl 4-[[2-[(4-cyanophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate.
What is the SMILES notation for ethyl 4-[[2-[(4-cyanophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate?
The canonical SMILES for ethyl 4-[[2-[(4-cyanophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate is CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)OCc2ccc(C#N)cc2)cc1.
What is the InChIKey of ethyl 4-[[2-[(4-cyanophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate?
The InChIKey is XIVZYZCOYUCQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6S/c1-2-26-19(23)16-7-9-17(10-8-16)28(24,25)21-12-18(22)27-13-15-5-3-14(11-20)4-6-15/h3-10,21H,2,12-13H2,1H3.
What are the key properties of ethyl 4-[[2-[(4-cyanophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate?
ethyl 4-[[2-[(4-cyanophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate has a molecular weight of 402.43 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[(4-cyanophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate is sourced from PubChem (CID 7725584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).