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

C16H19FN2O3S — CID 2148300

IUPAC2-[(2R,6R)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2-fluorophenyl)acetamide
SMILESCC[C@H]1S[C@H](CC)C(=O)N(CC(=O)Nc2ccccc2F)C1=O
InChIInChI=1S/C16H19FN2O3S/c1-3-12-15(21)19(16(22)13(4-2)23-12)9-14(20)18-11-8-6-5-7-10(11)17/h5-8,12-13H,3-4,9H2,1-2H3,(H,18,20)/t12-,13-/m1/s1
InChIKeyKPIAUXNFRCMVMK-CHWSQXEVSA-N
MW338.40 g/mol
LogP2.42
Rot. Bonds5

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

2-[(2R,6R)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 2148300) has the molecular formula C16H19FN2O3S and a molecular weight of 338.40 g/mol. Its IUPAC name is 2-[(2R,6R)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2R,6R)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2-fluorophenyl)acetamide
PubChem CID2148300
Molecular FormulaC16H19FN2O3S
Molecular Weight338.40 g/mol
Exact Mass338.11
IUPAC Name2-[(2R,6R)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2-fluorophenyl)acetamide
SMILESCC[C@H]1S[C@H](CC)C(=O)N(CC(=O)Nc2ccccc2F)C1=O
InChIInChI=1S/C16H19FN2O3S/c1-3-12-15(21)19(16(22)13(4-2)23-12)9-14(20)18-11-8-6-5-7-10(11)17/h5-8,12-13H,3-4,9H2,1-2H3,(H,18,20)/t12-,13-/m1/s1
InChIKeyKPIAUXNFRCMVMK-CHWSQXEVSA-N
XLogP2.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.42
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-[(2R,6R)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2-ethoxyphenyl)acetamide
CID 2148360
N-(2-fluorophenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide
CID 2148379
2-[(2R,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 2148314
4-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(2-fluorophenyl)butanamide
CID 17033894
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-[(2S,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 2148307
2-[(2S,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2148334
2-(2,5-dioxoimidazolidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 110686766
N-(2-fluorophenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574811
ethyl 4-[[2-[(2S,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]acetyl]amino]benzoate
CID 7172834
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(2-fluorophenyl)acetamide
CID 7190160

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6R)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[(2R,6R)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2-fluorophenyl)acetamide (CID 2148300) is 2-[(2R,6R)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(2R,6R)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[(2R,6R)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2-fluorophenyl)acetamide is CC[C@H]1S[C@H](CC)C(=O)N(CC(=O)Nc2ccccc2F)C1=O.
What is the InChIKey of 2-[(2R,6R)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is KPIAUXNFRCMVMK-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H19FN2O3S/c1-3-12-15(21)19(16(22)13(4-2)23-12)9-14(20)18-11-8-6-5-7-10(11)17/h5-8,12-13H,3-4,9H2,1-2H3,(H,18,20)/t12-,13-/m1/s1.
What are the key properties of 2-[(2R,6R)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2-fluorophenyl)acetamide?
2-[(2R,6R)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 338.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6R)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 2148300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).