[2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate

C15H21ClN2O5S — CID 7738869

IUPAC[2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
SMILESCCN(CC)C(=O)COC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O5S/c1-3-18(4-2)14(19)11-23-15(20)9-10-17-24(21,22)13-7-5-12(16)6-8-13/h5-8,17H,3-4,9-11H2,1-2H3
InChIKeyQICVLRXRNLHHRU-UHFFFAOYSA-N
MW376.86 g/mol
LogP1.42
Rot. Bonds9

About [2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate

[2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate (PubChem CID 7738869) has the molecular formula C15H21ClN2O5S and a molecular weight of 376.86 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
PubChem CID7738869
Molecular FormulaC15H21ClN2O5S
Molecular Weight376.86 g/mol
Exact Mass376.09
IUPAC Name[2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
SMILESCCN(CC)C(=O)COC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O5S/c1-3-18(4-2)14(19)11-23-15(20)9-10-17-24(21,22)13-7-5-12(16)6-8-13/h5-8,17H,3-4,9-11H2,1-2H3
InChIKeyQICVLRXRNLHHRU-UHFFFAOYSA-N
XLogP1.42
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 43020880
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 7738856
[2-(3,4-dichlorophenyl)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 34780491
[2-(benzylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 4781337
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 2467735
ethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate
CID 3823010
(4-chlorophenyl)methyl 3-[(4-acetylphenyl)sulfonylamino]propanoate
CID 7725647
[2-(4-chloroanilino)-2-oxoethyl] 3-(benzenesulfonamido)propanoate
CID 8574931
N,N-diethyl-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 45375378
(4-methylsulfanylphenyl)methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 7738966
ethyl 3-[[4-(aminomethyl)phenyl]sulfonylamino]propanoate
CID 69157083
ethyl 3-[(6-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 60730690

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate?
The IUPAC name of [2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate (CID 7738869) is [2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate is CCN(CC)C(=O)COC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate?
The InChIKey is QICVLRXRNLHHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O5S/c1-3-18(4-2)14(19)11-23-15(20)9-10-17-24(21,22)13-7-5-12(16)6-8-13/h5-8,17H,3-4,9-11H2,1-2H3.
What are the key properties of [2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate?
[2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate has a molecular weight of 376.86 g/mol, XLogP of 1.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 7738869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).