N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide

C17H23FN2O2S — CID 71972362

IUPACN-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCCC(C(=O)NCc1ccc(F)cc1CSC)N1CCCC1=O
InChIInChI=1S/C17H23FN2O2S/c1-3-15(20-8-4-5-16(20)21)17(22)19-10-12-6-7-14(18)9-13(12)11-23-2/h6-7,9,15H,3-5,8,10-11H2,1-2H3,(H,19,22)
InChIKeyOYFNTVWBRHYNKP-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.71
Rot. Bonds7

About N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide

N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 71972362) has the molecular formula C17H23FN2O2S and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID71972362
Molecular FormulaC17H23FN2O2S
Molecular Weight338.45 g/mol
Exact Mass338.15
IUPAC NameN-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCCC(C(=O)NCc1ccc(F)cc1CSC)N1CCCC1=O
InChIInChI=1S/C17H23FN2O2S/c1-3-15(20-8-4-5-16(20)21)17(22)19-10-12-6-7-14(18)9-13(12)11-23-2/h6-7,9,15H,3-5,8,10-11H2,1-2H3,(H,19,22)
InChIKeyOYFNTVWBRHYNKP-UHFFFAOYSA-N
XLogP2.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 97306073
(2R)-N-[(2S,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 124840387
(2R)-N-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide
CID 135817952
1-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 97055340
(2S)-N-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 125139710
2-(2-oxopyrrolidin-1-yl)butanamide;propane
CID 154648377
N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 71972398
(2R)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 95906047
(2R)-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 97218671
methyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate
CID 68788045
(2R)-N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 97025142
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 110911035

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide (CID 71972362) is N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide is CCC(C(=O)NCc1ccc(F)cc1CSC)N1CCCC1=O.
What is the InChIKey of N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is OYFNTVWBRHYNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2S/c1-3-15(20-8-4-5-16(20)21)17(22)19-10-12-6-7-14(18)9-13(12)11-23-2/h6-7,9,15H,3-5,8,10-11H2,1-2H3,(H,19,22).
What are the key properties of N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 338.45 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 71972362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).