N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-methylsulfonylthiolane-2-carboxamide

C13H16F2N2O4S2 — CID 166024375

IUPACN-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-methylsulfonylthiolane-2-carboxamide
SMILESCS(=O)(=O)C1CCC(C(=O)Nc2cc(F)c(=O)n(CCF)c2)S1
InChIInChI=1S/C13H16F2N2O4S2/c1-23(20,21)11-3-2-10(22-11)12(18)16-8-6-9(15)13(19)17(7-8)5-4-14/h6-7,10-11H,2-5H2,1H3,(H,16,18)
InChIKeyYFOYUPGWJOVTIO-UHFFFAOYSA-N
MW366.41 g/mol
LogP1.16
Rot. Bonds5

About N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-methylsulfonylthiolane-2-carboxamide

N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-methylsulfonylthiolane-2-carboxamide (PubChem CID 166024375) has the molecular formula C13H16F2N2O4S2 and a molecular weight of 366.41 g/mol. Its IUPAC name is N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-methylsulfonylthiolane-2-carboxamide.

Molecular Properties

Compound NameN-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-methylsulfonylthiolane-2-carboxamide
PubChem CID166024375
Molecular FormulaC13H16F2N2O4S2
Molecular Weight366.41 g/mol
Exact Mass366.05
IUPAC NameN-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-methylsulfonylthiolane-2-carboxamide
SMILESCS(=O)(=O)C1CCC(C(=O)Nc2cc(F)c(=O)n(CCF)c2)S1
InChIInChI=1S/C13H16F2N2O4S2/c1-23(20,21)11-3-2-10(22-11)12(18)16-8-6-9(15)13(19)17(7-8)5-4-14/h6-7,10-11H,2-5H2,1H3,(H,16,18)
InChIKeyYFOYUPGWJOVTIO-UHFFFAOYSA-N
XLogP1.16
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide
CID 166024385
5-acetamido-4-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiolane-2-carboxamide
CID 166024240
5-chloro-2-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-4-N,4-N-dimethylthiolane-2,4-dicarboxamide
CID 166024244
4-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-sulfamoylthiophene-2-carboxamide
CID 167631207
5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-methylsulfanylthiolane-2-carboxamide
CID 166024073
5-chloro-4-[2-(4-chlorocyclohexyl)ethynyl]-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiolane-2-carboxamide
CID 166024321
2-cyano-N-[5-cyano-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide
CID 166024350
4-chloro-5-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiolane-2-carboxamide
CID 166024139
2-bromo-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide
CID 167618481
2-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-3-methylimidazolidine-4-carboxamide
CID 166024364
tert-butyl 3-[2-[2-chloro-5-[[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]carbamoyl]thiolan-3-yl]ethynyl]azetidine-1-carboxylate
CID 166024112
5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-(1-methyl-2-oxopiperidin-4-yl)ethynyl]thiophene-2-carboxamide
CID 146323189

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-methylsulfonylthiolane-2-carboxamide?
The IUPAC name of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-methylsulfonylthiolane-2-carboxamide (CID 166024375) is N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-methylsulfonylthiolane-2-carboxamide.
What is the SMILES notation for N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-methylsulfonylthiolane-2-carboxamide?
The canonical SMILES for N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-methylsulfonylthiolane-2-carboxamide is CS(=O)(=O)C1CCC(C(=O)Nc2cc(F)c(=O)n(CCF)c2)S1.
What is the InChIKey of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-methylsulfonylthiolane-2-carboxamide?
The InChIKey is YFOYUPGWJOVTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O4S2/c1-23(20,21)11-3-2-10(22-11)12(18)16-8-6-9(15)13(19)17(7-8)5-4-14/h6-7,10-11H,2-5H2,1H3,(H,16,18).
What are the key properties of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-methylsulfonylthiolane-2-carboxamide?
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-methylsulfonylthiolane-2-carboxamide has a molecular weight of 366.41 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-methylsulfonylthiolane-2-carboxamide is sourced from PubChem (CID 166024375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).