[2-(diethylamino)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate

C16H24N2O5S — CID 16565546

IUPAC[2-(diethylamino)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCCN(CC)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H24N2O5S/c1-5-18(6-2)15(19)11-23-16(20)13(4)17-24(21,22)14-9-7-12(3)8-10-14/h7-10,13,17H,5-6,11H2,1-4H3/t13-/m0/s1
InChIKeySZTIUOSJTNSCFO-ZDUSSCGKSA-N
MW356.44 g/mol
LogP1.07
Rot. Bonds8

About [2-(diethylamino)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate

[2-(diethylamino)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate (PubChem CID 16565546) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
PubChem CID16565546
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name[2-(diethylamino)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCCN(CC)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H24N2O5S/c1-5-18(6-2)15(19)11-23-16(20)13(4)17-24(21,22)14-9-7-12(3)8-10-14/h7-10,13,17H,5-6,11H2,1-4H3/t13-/m0/s1
InChIKeySZTIUOSJTNSCFO-ZDUSSCGKSA-N
XLogP1.07
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 8843884
butyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 24670806
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55927975
ethyl 4-[[2-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]oxyacetyl]amino]butanoate
CID 16565565
2-(methylamino)ethyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 175911375
[2-(4-tert-butylphenyl)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 16565544
ethyl 3,5-dimethyl-4-[2-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]oxyacetyl]-1H-pyrrole-2-carboxylate
CID 16599879
[2-(cyclooctylamino)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 16565526
ethyl 2,2-bis[(4-methylphenyl)sulfonylamino]acetate
CID 11133698
2-[4-(butan-2-ylsulfamoyl)phenoxy]-N,N-diethylacetamide
CID 171317631
(2,3,4,5,6-pentafluorophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]propanoate
CID 42902975
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 8843793

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate?
The IUPAC name of [2-(diethylamino)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate (CID 16565546) is [2-(diethylamino)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate is CCN(CC)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate?
The InChIKey is SZTIUOSJTNSCFO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-5-18(6-2)15(19)11-23-16(20)13(4)17-24(21,22)14-9-7-12(3)8-10-14/h7-10,13,17H,5-6,11H2,1-4H3/t13-/m0/s1.
What are the key properties of [2-(diethylamino)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate?
[2-(diethylamino)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate has a molecular weight of 356.44 g/mol, XLogP of 1.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 16565546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).