ethyl 2-oxo-2-[4-(2-phenylethylsulfamoyl)anilino]acetate

C18H20N2O5S — CID 2188314

IUPACethyl 2-oxo-2-[4-(2-phenylethylsulfamoyl)anilino]acetate
SMILESCCOC(=O)C(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C18H20N2O5S/c1-2-25-18(22)17(21)20-15-8-10-16(11-9-15)26(23,24)19-13-12-14-6-4-3-5-7-14/h3-11,19H,2,12-13H2,1H3,(H,20,21)
InChIKeyIJVLTDDJDOAMCI-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.71
Rot. Bonds7

About ethyl 2-oxo-2-[4-(2-phenylethylsulfamoyl)anilino]acetate

ethyl 2-oxo-2-[4-(2-phenylethylsulfamoyl)anilino]acetate (PubChem CID 2188314) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is ethyl 2-oxo-2-[4-(2-phenylethylsulfamoyl)anilino]acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-[4-(2-phenylethylsulfamoyl)anilino]acetate
PubChem CID2188314
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Nameethyl 2-oxo-2-[4-(2-phenylethylsulfamoyl)anilino]acetate
SMILESCCOC(=O)C(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C18H20N2O5S/c1-2-25-18(22)17(21)20-15-8-10-16(11-9-15)26(23,24)19-13-12-14-6-4-3-5-7-14/h3-11,19H,2,12-13H2,1H3,(H,20,21)
InChIKeyIJVLTDDJDOAMCI-UHFFFAOYSA-N
XLogP1.71
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3601253
2-(2-methylphenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 17145873
N-[4-(2-phenylethylsulfamoyl)phenyl]heptanamide
CID 54790596
ethyl 3-[4-[2-(benzenesulfonamido)ethyl]phenyl]propanoate
CID 57249051
4-hydrazinyl-N-(2-phenylethyl)benzenesulfonamide
CID 43454992
2-phenoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5187425
3-methyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4288383
4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3595428
ethyl N-[4-[2-[4-(diethylsulfamoyl)phenyl]ethylsulfamoyl]phenyl]carbamate
CID 30126262
1-(2-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]urea
CID 17379791
N-[4-(2-phenylethylsulfamoyl)phenyl]-2-propylsulfonylbenzamide
CID 17224948
4-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4936114

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-[4-(2-phenylethylsulfamoyl)anilino]acetate?
The IUPAC name of ethyl 2-oxo-2-[4-(2-phenylethylsulfamoyl)anilino]acetate (CID 2188314) is ethyl 2-oxo-2-[4-(2-phenylethylsulfamoyl)anilino]acetate.
What is the SMILES notation for ethyl 2-oxo-2-[4-(2-phenylethylsulfamoyl)anilino]acetate?
The canonical SMILES for ethyl 2-oxo-2-[4-(2-phenylethylsulfamoyl)anilino]acetate is CCOC(=O)C(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1.
What is the InChIKey of ethyl 2-oxo-2-[4-(2-phenylethylsulfamoyl)anilino]acetate?
The InChIKey is IJVLTDDJDOAMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-2-25-18(22)17(21)20-15-8-10-16(11-9-15)26(23,24)19-13-12-14-6-4-3-5-7-14/h3-11,19H,2,12-13H2,1H3,(H,20,21).
What are the key properties of ethyl 2-oxo-2-[4-(2-phenylethylsulfamoyl)anilino]acetate?
ethyl 2-oxo-2-[4-(2-phenylethylsulfamoyl)anilino]acetate has a molecular weight of 376.43 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-[4-(2-phenylethylsulfamoyl)anilino]acetate is sourced from PubChem (CID 2188314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).