N-(1,1-dioxothiolan-3-yl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-methylacetamide

C15H15FN2O5S — CID 113201654

IUPACN-(1,1-dioxothiolan-3-yl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-methylacetamide
SMILESCN(C(=O)CN1C(=O)c2cccc(F)c2C1=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H15FN2O5S/c1-17(9-5-6-24(22,23)8-9)12(19)7-18-14(20)10-3-2-4-11(16)13(10)15(18)21/h2-4,9H,5-8H2,1H3
InChIKeyMZIFJCOYPINPOS-UHFFFAOYSA-N
MW354.36 g/mol
LogP0.07
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-methylacetamide

N-(1,1-dioxothiolan-3-yl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-methylacetamide (PubChem CID 113201654) has the molecular formula C15H15FN2O5S and a molecular weight of 354.36 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-methylacetamide
PubChem CID113201654
Molecular FormulaC15H15FN2O5S
Molecular Weight354.36 g/mol
Exact Mass354.07
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-methylacetamide
SMILESCN(C(=O)CN1C(=O)c2cccc(F)c2C1=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H15FN2O5S/c1-17(9-5-6-24(22,23)8-9)12(19)7-18-14(20)10-3-2-4-11(16)13(10)15(18)21/h2-4,9H,5-8H2,1H3
InChIKeyMZIFJCOYPINPOS-UHFFFAOYSA-N
XLogP0.07
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-(1,3-dioxoisoindol-2-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7697526
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide
CID 30670055
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(5Z)-5-[(3-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-methylacetamide
CID 41029346
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 51928653
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 51928652
[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 3587605
2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 6389654
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 18152364
2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 6237118
[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate
CID 40783636
[2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate
CID 40783637
2-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide
CID 51664518

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-methylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-methylacetamide (CID 113201654) is N-(1,1-dioxothiolan-3-yl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-methylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-methylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-methylacetamide is CN(C(=O)CN1C(=O)c2cccc(F)c2C1=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-methylacetamide?
The InChIKey is MZIFJCOYPINPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O5S/c1-17(9-5-6-24(22,23)8-9)12(19)7-18-14(20)10-3-2-4-11(16)13(10)15(18)21/h2-4,9H,5-8H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-methylacetamide?
N-(1,1-dioxothiolan-3-yl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-methylacetamide has a molecular weight of 354.36 g/mol, XLogP of 0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-methylacetamide is sourced from PubChem (CID 113201654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).