2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)-N-(2-phenylethyl)acetamide

C18H24N2O3S — CID 4647858

IUPAC2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)-N-(2-phenylethyl)acetamide
SMILESCCC1C(=O)N(C(=O)C(S1)CC)CC(=O)NCCC2=CC=CC=C2
InChIInChI=1S/C18H24N2O3S/c1-3-14-17(22)20(18(23)15(4-2)24-14)12-16(21)19-11-10-13-8-6-5-7-9-13/h5-9,14-15H,3-4,10-12H2,1-2H3,(H,19,21)
InChIKeyRXVSOCNCOAJAOI-UHFFFAOYSA-N
MW348.50 g/mol
LogP3.10
Rot. Bonds7

About 2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)-N-(2-phenylethyl)acetamide

2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)-N-(2-phenylethyl)acetamide (PubChem CID 4647858) has the molecular formula C18H24N2O3S and a molecular weight of 348.50 g/mol. Its IUPAC name is 2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)-N-(2-phenylethyl)acetamide
PubChem CID4647858
Molecular FormulaC18H24N2O3S
Molecular Weight348.50 g/mol
Exact Mass348.15
IUPAC Name2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)-N-(2-phenylethyl)acetamide
SMILESCCC1C(=O)N(C(=O)C(S1)CC)CC(=O)NCCC2=CC=CC=C2
InChIInChI=1S/C18H24N2O3S/c1-3-14-17(22)20(18(23)15(4-2)24-14)12-16(21)19-11-10-13-8-6-5-7-9-13/h5-9,14-15H,3-4,10-12H2,1-2H3,(H,19,21)
InChIKeyRXVSOCNCOAJAOI-UHFFFAOYSA-N
XLogP3.10
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity441

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

6-Phenylthiomorpholin-3-one
CID 20242416
Ac-Cys(1)-Ala-Phe-Ile-Met-(1)
CID 71716470
N-[9-Benzyl-6-sec-butyl-12-methyl-3-(2-methylsulfanyl-ethyl)-2,5,8,11,14-pentaoxo-1-thia-4,7,10,13-tetraaza-cyclohexadec-15-yl]-acetamide
CID 44392554
4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(2-sulfanylcyclopentyl)sulfanylpentanamide
CID 85102817
Ac-D-Cys(1)-D-Ala-D-Phe-D-aIle-D-Met-(1)
CID 155517105
Ac-D-Cys(1)-D-Ala-D-Leu-D-Leu-D-Phe-(1)
CID 155562027
N~1~-(2-Oxo-2-piperidinoethyl)-2-phenylacetamide
CID 2221618
N~1~-{2-Oxo-2-[(2-oxo-2-piperidinoethyl)amino]ethyl}-2-phenylacetamide
CID 2976767
2-(2-methyl-3,5-dioxothiomorpholin-4-yl)-N-(2-phenylethyl)acetamide
CID 3640249
1-(3-Benzylsulfanyl-propionyl)-piperidine-4-carboxylic acid amide
CID 6463287
N-methyl-1-[3-(methylthio)propanoyl]-N-(2-phenylethyl)piperidin-3-amine
CID 23723498
L-Cysteinyl-L-isoleucine-phenethylamide
CID 9797912

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)-N-(2-phenylethyl)acetamide (CID 4647858) is 2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)-N-(2-phenylethyl)acetamide is CCC1C(=O)N(C(=O)C(S1)CC)CC(=O)NCCC2=CC=CC=C2.
What is the InChIKey of 2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is RXVSOCNCOAJAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-3-14-17(22)20(18(23)15(4-2)24-14)12-16(21)19-11-10-13-8-6-5-7-9-13/h5-9,14-15H,3-4,10-12H2,1-2H3,(H,19,21).
What are the key properties of 2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)-N-(2-phenylethyl)acetamide?
2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 348.50 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 4647858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).