(2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate

C19H22N2O5S — CID 2557673

IUPAC(2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-3-21(4-2)27(24,25)17-12-10-15(11-13-17)19(23)26-14-18(22)20-16-8-6-5-7-9-16/h5-13H,3-4,14H2,1-2H3,(H,20,22)
InChIKeyXIKMWTDIYCFQRV-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.51
Rot. Bonds8

About (2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate

(2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate (PubChem CID 2557673) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate
PubChem CID2557673
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name(2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-3-21(4-2)27(24,25)17-12-10-15(11-13-17)19(23)26-14-18(22)20-16-8-6-5-7-9-16/h5-13H,3-4,14H2,1-2H3,(H,20,22)
InChIKeyXIKMWTDIYCFQRV-UHFFFAOYSA-N
XLogP2.51
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 55314654
butyl 4-[[2-[4-(diethylsulfamoyl)benzoyl]oxyacetyl]amino]benzoate
CID 55314415
[2-(2-chloroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557633
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate
CID 7777321
[2-(2-acetylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557443
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557649
(2-anilino-2-oxoethyl) 3-(diethylsulfamoyl)-4-methylbenzoate
CID 2546179
[2-(ethylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2364687
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 4-(diethylsulfamoyl)benzoate
CID 2557746
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(diethylsulfamoyl)benzoate
CID 2557690
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-bromobenzoate
CID 2624031
[2-oxo-2-(4-phenylanilino)ethyl] 4-(dimethylsulfamoyl)benzoate
CID 2602433

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate?
The IUPAC name of (2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate (CID 2557673) is (2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate?
The canonical SMILES for (2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2)cc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate?
The InChIKey is XIKMWTDIYCFQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-3-21(4-2)27(24,25)17-12-10-15(11-13-17)19(23)26-14-18(22)20-16-8-6-5-7-9-16/h5-13H,3-4,14H2,1-2H3,(H,20,22).
What are the key properties of (2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate?
(2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate has a molecular weight of 390.46 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 2557673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).