[2-(benzylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate

C18H20N2O5S — CID 2357803

IUPAC[2-(benzylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C18H20N2O5S/c1-20(2)26(23,24)16-10-8-15(9-11-16)18(22)25-13-17(21)19-12-14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,19,21)
InChIKeyYZOYQRRPWQJFRW-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.41
Rot. Bonds7

About [2-(benzylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate

[2-(benzylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate (PubChem CID 2357803) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
PubChem CID2357803
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name[2-(benzylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C18H20N2O5S/c1-20(2)26(23,24)16-10-8-15(9-11-16)18(22)25-13-17(21)19-12-14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,19,21)
InChIKeyYZOYQRRPWQJFRW-UHFFFAOYSA-N
XLogP1.41
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(benzylamino)-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2588136
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2428192
[2-oxo-2-(4-phenylanilino)ethyl] 4-(dimethylsulfamoyl)benzoate
CID 2602433
[2-(benzylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2538376
[2-(tert-butylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2433856
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557279
[2-(2-tert-butylanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2602460
[2-(2-ethylanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 7448392
[2-(benzylamino)-2-oxoethyl] 4-(2-methylpropyl)benzoate
CID 8538197
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
CID 2512361
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 7960612
[2-(benzylamino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7834058

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate (CID 2357803) is [2-(benzylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate is CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccccc2)cc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate?
The InChIKey is YZOYQRRPWQJFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-20(2)26(23,24)16-10-8-15(9-11-16)18(22)25-13-17(21)19-12-14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,19,21).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate?
[2-(benzylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate has a molecular weight of 376.43 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 2357803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).