[2-(dimethylamino)-2-oxo-1-phenylethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate

C20H24N2O5S — CID 46825923

IUPAC[2-(dimethylamino)-2-oxo-1-phenylethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate
SMILESCNS(=O)(=O)c1ccc(CCC(=O)OC(C(=O)N(C)C)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O5S/c1-21-28(25,26)17-12-9-15(10-13-17)11-14-18(23)27-19(20(24)22(2)3)16-7-5-4-6-8-16/h4-10,12-13,19,21H,11,14H2,1-3H3
InChIKeyWBVUAJVTDMUPFS-UHFFFAOYSA-N
MW404.49 g/mol
LogP1.90
Rot. Bonds8

About [2-(dimethylamino)-2-oxo-1-phenylethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate

[2-(dimethylamino)-2-oxo-1-phenylethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate (PubChem CID 46825923) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxo-1-phenylethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxo-1-phenylethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate
PubChem CID46825923
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name[2-(dimethylamino)-2-oxo-1-phenylethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate
SMILESCNS(=O)(=O)c1ccc(CCC(=O)OC(C(=O)N(C)C)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O5S/c1-21-28(25,26)17-12-9-15(10-13-17)11-14-18(23)27-19(20(24)22(2)3)16-7-5-4-6-8-16/h4-10,12-13,19,21H,11,14H2,1-3H3
InChIKeyWBVUAJVTDMUPFS-UHFFFAOYSA-N
XLogP1.90
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-chloro-5-(methylsulfamoyl)benzoate
CID 8600721
N-benzhydryl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 18104745
N-(2,2-diphenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 27770572
[2-(1,2-diphenylethylamino)-2-oxoethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate
CID 55375109
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-[2-(methanesulfonamido)ethyl]benzoate
CID 27614893
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate
CID 7698022
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 7703013
N-(2-amino-2-phenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119529188
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 3-[4-(methylsulfamoyl)phenyl]propanoate
CID 55475903
[(E)-but-2-enyl] 3-[4-(methylsulfamoyl)phenyl]propanoate
CID 55475988
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7703284
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[4-(methylsulfamoyl)phenyl]propanoate
CID 55366984

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxo-1-phenylethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate?
The IUPAC name of [2-(dimethylamino)-2-oxo-1-phenylethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate (CID 46825923) is [2-(dimethylamino)-2-oxo-1-phenylethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate.
What is the SMILES notation for [2-(dimethylamino)-2-oxo-1-phenylethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate?
The canonical SMILES for [2-(dimethylamino)-2-oxo-1-phenylethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate is CNS(=O)(=O)c1ccc(CCC(=O)OC(C(=O)N(C)C)c2ccccc2)cc1.
What is the InChIKey of [2-(dimethylamino)-2-oxo-1-phenylethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate?
The InChIKey is WBVUAJVTDMUPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-21-28(25,26)17-12-9-15(10-13-17)11-14-18(23)27-19(20(24)22(2)3)16-7-5-4-6-8-16/h4-10,12-13,19,21H,11,14H2,1-3H3.
What are the key properties of [2-(dimethylamino)-2-oxo-1-phenylethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate?
[2-(dimethylamino)-2-oxo-1-phenylethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate has a molecular weight of 404.49 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxo-1-phenylethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate is sourced from PubChem (CID 46825923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).