2-phenylsulfanyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide

C17H17F3N2O2S — CID 55613812

IUPAC2-phenylsulfanyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
SMILESCC(Sc1ccccc1)C(=O)NCc1cccnc1OCC(F)(F)F
InChIInChI=1S/C17H17F3N2O2S/c1-12(25-14-7-3-2-4-8-14)15(23)22-10-13-6-5-9-21-16(13)24-11-17(18,19)20/h2-9,12H,10-11H2,1H3,(H,22,23)
InChIKeyIRDJROVKPVGSIL-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.82
Rot. Bonds7

About 2-phenylsulfanyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide

2-phenylsulfanyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide (PubChem CID 55613812) has the molecular formula C17H17F3N2O2S and a molecular weight of 370.40 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
PubChem CID55613812
Molecular FormulaC17H17F3N2O2S
Molecular Weight370.40 g/mol
Exact Mass370.10
IUPAC Name2-phenylsulfanyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
SMILESCC(Sc1ccccc1)C(=O)NCc1cccnc1OCC(F)(F)F
InChIInChI=1S/C17H17F3N2O2S/c1-12(25-14-7-3-2-4-8-14)15(23)22-10-13-6-5-9-21-16(13)24-11-17(18,19)20/h2-9,12H,10-11H2,1H3,(H,22,23)
InChIKeyIRDJROVKPVGSIL-UHFFFAOYSA-N
XLogP3.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-phenylsulfanylpropanamide
CID 46434537
2-propan-2-ylsulfanyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide
CID 55613755
(2R)-2-pyrazol-1-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 94022211
(2R)-2-amino-3-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 142480215
(2S)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 28771750
2-(2-cyanophenoxy)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 55614028
4-bromo-5-propan-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide
CID 56563614
2-methyl-1-(2-phenylethyl)-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111135040
N-(naphthalen-1-ylmethyl)-2-phenylsulfanylpropanamide
CID 133218931
6-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyridazine-3-carboxamide
CID 37298369
1-[(5-methylthiophen-2-yl)methyl]-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea
CID 55793336
2-(2-bromo-4,5-diethoxyphenyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide
CID 46447585

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 2-phenylsulfanyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide (CID 55613812) is 2-phenylsulfanyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 2-phenylsulfanyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 2-phenylsulfanyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide is CC(Sc1ccccc1)C(=O)NCc1cccnc1OCC(F)(F)F.
What is the InChIKey of 2-phenylsulfanyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide?
The InChIKey is IRDJROVKPVGSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2S/c1-12(25-14-7-3-2-4-8-14)15(23)22-10-13-6-5-9-21-16(13)24-11-17(18,19)20/h2-9,12H,10-11H2,1H3,(H,22,23).
What are the key properties of 2-phenylsulfanyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide?
2-phenylsulfanyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide has a molecular weight of 370.40 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 55613812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).