N-(2-fluorophenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide

C13H13FN2O3S — CID 2148379

IUPACN-(2-fluorophenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide
SMILESC[C@@H]1SCC(=O)N(CC(=O)Nc2ccccc2F)C1=O
InChIInChI=1S/C13H13FN2O3S/c1-8-13(19)16(12(18)7-20-8)6-11(17)15-10-5-3-2-4-9(10)14/h2-5,8H,6-7H2,1H3,(H,15,17)/t8-/m0/s1
InChIKeyRAJWYLCLIUZLQS-QMMMGPOBSA-N
MW296.32 g/mol
LogP1.25
Rot. Bonds3

About N-(2-fluorophenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide

N-(2-fluorophenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide (PubChem CID 2148379) has the molecular formula C13H13FN2O3S and a molecular weight of 296.32 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide
PubChem CID2148379
Molecular FormulaC13H13FN2O3S
Molecular Weight296.32 g/mol
Exact Mass296.06
IUPAC NameN-(2-fluorophenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide
SMILESC[C@@H]1SCC(=O)N(CC(=O)Nc2ccccc2F)C1=O
InChIInChI=1S/C13H13FN2O3S/c1-8-13(19)16(12(18)7-20-8)6-11(17)15-10-5-3-2-4-9(10)14/h2-5,8H,6-7H2,1H3,(H,15,17)/t8-/m0/s1
InChIKeyRAJWYLCLIUZLQS-QMMMGPOBSA-N
XLogP1.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.25
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

N-(2-methoxyphenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide
CID 2148399
2-[(2R,6R)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2-fluorophenyl)acetamide
CID 2148300
N-(2,5-dimethylphenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide
CID 2148369
2-(2-methyl-3,5-dioxothiomorpholin-4-yl)-N-(3-methylphenyl)acetamide
CID 3530495
2-(2,5-dioxoimidazolidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 110686766
N-(3,4-dichlorophenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide
CID 2148393
2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2148419
ethyl (2Z)-2-[3-[2-(2-fluoroanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 7667736
2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 87022436
N-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583353
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 63841061
N-(2-fluorophenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574811

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide (CID 2148379) is N-(2-fluorophenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide is C[C@@H]1SCC(=O)N(CC(=O)Nc2ccccc2F)C1=O.
What is the InChIKey of N-(2-fluorophenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide?
The InChIKey is RAJWYLCLIUZLQS-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H13FN2O3S/c1-8-13(19)16(12(18)7-20-8)6-11(17)15-10-5-3-2-4-9(10)14/h2-5,8H,6-7H2,1H3,(H,15,17)/t8-/m0/s1.
What are the key properties of N-(2-fluorophenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide?
N-(2-fluorophenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide has a molecular weight of 296.32 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide is sourced from PubChem (CID 2148379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).