[2-(diethylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate

C17H24N2O6S — CID 7699367

IUPAC[2-(diethylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
SMILESCCN(CC)C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H24N2O6S/c1-3-18(4-2)16(20)13-25-17(21)14-6-5-7-15(12-14)26(22,23)19-8-10-24-11-9-19/h5-7,12H,3-4,8-11,13H2,1-2H3
InChIKeyBQUBZFONDUUUKQ-UHFFFAOYSA-N
MW384.45 g/mol
LogP0.73
Rot. Bonds7

About [2-(diethylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate

[2-(diethylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate (PubChem CID 7699367) has the molecular formula C17H24N2O6S and a molecular weight of 384.45 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
PubChem CID7699367
Molecular FormulaC17H24N2O6S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC Name[2-(diethylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
SMILESCCN(CC)C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H24N2O6S/c1-3-18(4-2)16(20)13-25-17(21)14-6-5-7-15(12-14)26(22,23)19-8-10-24-11-9-19/h5-7,12H,3-4,8-11,13H2,1-2H3
InChIKeyBQUBZFONDUUUKQ-UHFFFAOYSA-N
XLogP0.73
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 793747
[2-(diethylamino)-2-oxoethyl] 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 8661064
phenacyl 3-morpholin-4-ylsulfonylbenzoate
CID 1124162
[2-oxo-2-(propylamino)ethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 7699376
[2-(azepan-1-yl)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 16521666
[2-(carbamoylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 16521625
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 42964870
[2-(3-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 25044862
[2-(dimethylamino)-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylbenzoate
CID 7981280
[2-(3-fluorophenyl)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 8666849
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 55313549
[2-(diethylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 7960641

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-(diethylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate (CID 7699367) is [2-(diethylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate is CCN(CC)C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is BQUBZFONDUUUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6S/c1-3-18(4-2)16(20)13-25-17(21)14-6-5-7-15(12-14)26(22,23)19-8-10-24-11-9-19/h5-7,12H,3-4,8-11,13H2,1-2H3.
What are the key properties of [2-(diethylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?
[2-(diethylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 384.45 g/mol, XLogP of 0.73, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 7699367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).