2-methyl-N-oxo-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanamide

C16H13F3N2O2S — CID 118672954

IUPAC2-methyl-N-oxo-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanamide
SMILESCC(C)(Sc1ccncc1-c1ccc(C(F)(F)F)cc1)C(=O)N=O
InChIInChI=1S/C16H13F3N2O2S/c1-15(2,14(22)21-23)24-13-7-8-20-9-12(13)10-3-5-11(6-4-10)16(17,18)19/h3-9H,1-2H3
InChIKeyYJPJVCLTIODJRU-UHFFFAOYSA-N
MW354.35 g/mol
LogP4.93
Rot. Bonds4

About 2-methyl-N-oxo-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanamide

2-methyl-N-oxo-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanamide (PubChem CID 118672954) has the molecular formula C16H13F3N2O2S and a molecular weight of 354.35 g/mol. Its IUPAC name is 2-methyl-N-oxo-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-oxo-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanamide
PubChem CID118672954
Molecular FormulaC16H13F3N2O2S
Molecular Weight354.35 g/mol
Exact Mass354.06
IUPAC Name2-methyl-N-oxo-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanamide
SMILESCC(C)(Sc1ccncc1-c1ccc(C(F)(F)F)cc1)C(=O)N=O
InChIInChI=1S/C16H13F3N2O2S/c1-15(2,14(22)21-23)24-13-7-8-20-9-12(13)10-3-5-11(6-4-10)16(17,18)19/h3-9H,1-2H3
InChIKeyYJPJVCLTIODJRU-UHFFFAOYSA-N
XLogP4.93
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-oxo-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanamide?
The IUPAC name of 2-methyl-N-oxo-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanamide (CID 118672954) is 2-methyl-N-oxo-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanamide.
What is the SMILES notation for 2-methyl-N-oxo-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanamide?
The canonical SMILES for 2-methyl-N-oxo-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanamide is CC(C)(Sc1ccncc1-c1ccc(C(F)(F)F)cc1)C(=O)N=O.
What is the InChIKey of 2-methyl-N-oxo-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanamide?
The InChIKey is YJPJVCLTIODJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O2S/c1-15(2,14(22)21-23)24-13-7-8-20-9-12(13)10-3-5-11(6-4-10)16(17,18)19/h3-9H,1-2H3.
What are the key properties of 2-methyl-N-oxo-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanamide?
2-methyl-N-oxo-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanamide has a molecular weight of 354.35 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-oxo-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanamide is sourced from PubChem (CID 118672954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).