2-[(2R,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4-dimethylphenyl)acetamide

C18H24N2O3S — CID 2148314

IUPAC2-[(2R,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4-dimethylphenyl)acetamide
SMILESCC[C@@H]1S[C@H](CC)C(=O)N(CC(=O)Nc2ccc(C)cc2C)C1=O
InChIInChI=1S/C18H24N2O3S/c1-5-14-17(22)20(18(23)15(6-2)24-14)10-16(21)19-13-8-7-11(3)9-12(13)4/h7-9,14-15H,5-6,10H2,1-4H3,(H,19,21)/t14-,15+
InChIKeyNGFKUGQBPWAUQH-GASCZTMLSA-N
MW348.47 g/mol
LogP2.90
Rot. Bonds5

About 2-[(2R,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4-dimethylphenyl)acetamide

2-[(2R,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 2148314) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4-dimethylphenyl)acetamide
PubChem CID2148314
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name2-[(2R,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4-dimethylphenyl)acetamide
SMILESCC[C@@H]1S[C@H](CC)C(=O)N(CC(=O)Nc2ccc(C)cc2C)C1=O
InChIInChI=1S/C18H24N2O3S/c1-5-14-17(22)20(18(23)15(6-2)24-14)10-16(21)19-13-8-7-11(3)9-12(13)4/h7-9,14-15H,5-6,10H2,1-4H3,(H,19,21)/t14-,15+
InChIKeyNGFKUGQBPWAUQH-GASCZTMLSA-N
XLogP2.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.90
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

2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)-N-(3-methylphenyl)acetamide
CID 3398584
2-[(2R,6R)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 2148321
2-[(2R,6R)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2-fluorophenyl)acetamide
CID 2148300
N-(2,4-dimethylphenyl)-4-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanamide
CID 17033884
N-(2,4-dimethylphenyl)-2-(2,5-dioxo-4-propylimidazolidin-1-yl)acetamide
CID 18085760
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 7182030
N-(2,4-dimethylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide
CID 4910885
2-[(2R,6R)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2-ethoxyphenyl)acetamide
CID 2148360
ethyl 4-[[2-[(2S,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]acetyl]amino]benzoate
CID 7172834
2-[(2S,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 2148307
N-(2,5-dimethylphenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide
CID 2148369
2-[(2R,6R)-2,6-dimethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2148294

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[(2R,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4-dimethylphenyl)acetamide (CID 2148314) is 2-[(2R,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(2R,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(2R,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4-dimethylphenyl)acetamide is CC[C@@H]1S[C@H](CC)C(=O)N(CC(=O)Nc2ccc(C)cc2C)C1=O.
What is the InChIKey of 2-[(2R,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is NGFKUGQBPWAUQH-GASCZTMLSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-5-14-17(22)20(18(23)15(6-2)24-14)10-16(21)19-13-8-7-11(3)9-12(13)4/h7-9,14-15H,5-6,10H2,1-4H3,(H,19,21)/t14-,15+.
What are the key properties of 2-[(2R,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4-dimethylphenyl)acetamide?
2-[(2R,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 348.47 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 2148314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).