[2-(diethylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate

C15H22N2O5S — CID 7960641

IUPAC[2-(diethylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
SMILESCCN(CC)C(=O)COC(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C15H22N2O5S/c1-5-17(6-2)14(18)11-22-15(19)12-8-7-9-13(10-12)23(20,21)16(3)4/h7-10H,5-6,11H2,1-4H3
InChIKeyHBFMHNHWRAVLGV-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.96
Rot. Bonds7

About [2-(diethylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate

[2-(diethylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate (PubChem CID 7960641) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
PubChem CID7960641
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name[2-(diethylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
SMILESCCN(CC)C(=O)COC(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C15H22N2O5S/c1-5-17(6-2)14(18)11-22-15(19)12-8-7-9-13(10-12)23(20,21)16(3)4/h7-10H,5-6,11H2,1-4H3
InChIKeyHBFMHNHWRAVLGV-UHFFFAOYSA-N
XLogP0.96
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(diethylamino)-2-oxoethyl] 3-[benzyl(phenyl)sulfamoyl]benzoate
CID 40919367
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2505781
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 7960640
[2-(diethylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 7699367
[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 9017755
[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 4538293
[2-(diethylamino)-2-oxoethyl] 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 8661064
2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate
CID 4188820
[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 3-(dimethylsulfamoyl)benzoate
CID 7960621
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2506165
[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 3-(dimethylsulfamoyl)benzoate
CID 9416369
[2-(benzhydrylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 23965276

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate?
The IUPAC name of [2-(diethylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate (CID 7960641) is [2-(diethylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate is CCN(CC)C(=O)COC(=O)c1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate?
The InChIKey is HBFMHNHWRAVLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-5-17(6-2)14(18)11-22-15(19)12-8-7-9-13(10-12)23(20,21)16(3)4/h7-10H,5-6,11H2,1-4H3.
What are the key properties of [2-(diethylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate?
[2-(diethylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate has a molecular weight of 342.42 g/mol, XLogP of 0.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 7960641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).