N-[(3S)-2-oxooxolan-3-yl]-2-[4-(trifluoromethylsulfanyl)phenyl]acetamide

C13H12F3NO3S — CID 25014956

IUPACN-[(3S)-2-oxooxolan-3-yl]-2-[4-(trifluoromethylsulfanyl)phenyl]acetamide
SMILESO=C(Cc1ccc(SC(F)(F)F)cc1)N[C@H]1CCOC1=O
InChIInChI=1S/C13H12F3NO3S/c14-13(15,16)21-9-3-1-8(2-4-9)7-11(18)17-10-5-6-20-12(10)19/h1-4,10H,5-7H2,(H,17,18)/t10-/m0/s1
InChIKeyLCZPJKBOXOQJFX-JTQLQIEISA-N
MW319.30 g/mol
LogP2.27
Rot. Bonds4

About N-[(3S)-2-oxooxolan-3-yl]-2-[4-(trifluoromethylsulfanyl)phenyl]acetamide

N-[(3S)-2-oxooxolan-3-yl]-2-[4-(trifluoromethylsulfanyl)phenyl]acetamide (PubChem CID 25014956) has the molecular formula C13H12F3NO3S and a molecular weight of 319.30 g/mol. Its IUPAC name is N-[(3S)-2-oxooxolan-3-yl]-2-[4-(trifluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(3S)-2-oxooxolan-3-yl]-2-[4-(trifluoromethylsulfanyl)phenyl]acetamide
PubChem CID25014956
Molecular FormulaC13H12F3NO3S
Molecular Weight319.30 g/mol
Exact Mass319.05
IUPAC NameN-[(3S)-2-oxooxolan-3-yl]-2-[4-(trifluoromethylsulfanyl)phenyl]acetamide
SMILESO=C(Cc1ccc(SC(F)(F)F)cc1)N[C@H]1CCOC1=O
InChIInChI=1S/C13H12F3NO3S/c14-13(15,16)21-9-3-1-8(2-4-9)7-11(18)17-10-5-6-20-12(10)19/h1-4,10H,5-7H2,(H,17,18)/t10-/m0/s1
InChIKeyLCZPJKBOXOQJFX-JTQLQIEISA-N
XLogP2.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxooxolan-3-yl]-2-[4-(trifluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of N-[(3S)-2-oxooxolan-3-yl]-2-[4-(trifluoromethylsulfanyl)phenyl]acetamide (CID 25014956) is N-[(3S)-2-oxooxolan-3-yl]-2-[4-(trifluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for N-[(3S)-2-oxooxolan-3-yl]-2-[4-(trifluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for N-[(3S)-2-oxooxolan-3-yl]-2-[4-(trifluoromethylsulfanyl)phenyl]acetamide is O=C(Cc1ccc(SC(F)(F)F)cc1)N[C@H]1CCOC1=O.
What is the InChIKey of N-[(3S)-2-oxooxolan-3-yl]-2-[4-(trifluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is LCZPJKBOXOQJFX-JTQLQIEISA-N. The full InChI is InChI=1S/C13H12F3NO3S/c14-13(15,16)21-9-3-1-8(2-4-9)7-11(18)17-10-5-6-20-12(10)19/h1-4,10H,5-7H2,(H,17,18)/t10-/m0/s1.
What are the key properties of N-[(3S)-2-oxooxolan-3-yl]-2-[4-(trifluoromethylsulfanyl)phenyl]acetamide?
N-[(3S)-2-oxooxolan-3-yl]-2-[4-(trifluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 319.30 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxooxolan-3-yl]-2-[4-(trifluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 25014956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).