N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]propanamide

C17H17F3N2O3S2 — CID 154077259

IUPACN-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1cccnc1SCCS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O3S2/c1-2-15(23)22-14-7-4-8-21-16(14)26-9-10-27(24,25)13-6-3-5-12(11-13)17(18,19)20/h3-8,11H,2,9-10H2,1H3,(H,22,23)
InChIKeyRSYXLUVARLBWHR-UHFFFAOYSA-N
MW418.46 g/mol
LogP4.01
Rot. Bonds7

About N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]propanamide

N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]propanamide (PubChem CID 154077259) has the molecular formula C17H17F3N2O3S2 and a molecular weight of 418.46 g/mol. Its IUPAC name is N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]propanamide
PubChem CID154077259
Molecular FormulaC17H17F3N2O3S2
Molecular Weight418.46 g/mol
Exact Mass418.06
IUPAC NameN-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1cccnc1SCCS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O3S2/c1-2-15(23)22-14-7-4-8-21-16(14)26-9-10-27(24,25)13-6-3-5-12(11-13)17(18,19)20/h3-8,11H,2,9-10H2,1H3,(H,22,23)
InChIKeyRSYXLUVARLBWHR-UHFFFAOYSA-N
XLogP4.01
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-hydroxyphenyl)-N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]acetamide
CID 46917666
2-naphthalen-2-yl-N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]acetamide
CID 46917585
4-fluoro-2-hydroxy-N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]benzamide
CID 46917821
N-(3,3-dimethylbutyl)-2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]pyridine-3-carboxamide
CID 68729049
2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 25222085
6-[3-(trifluoromethyl)phenyl]sulfonylhexan-3-one
CID 106807681
2-(1-benzothiophen-2-yl)-N-[2-[2-[1-[3-(trifluoromethyl)phenyl]prop-2-enylsulfonyl]ethylsulfanyl]-3-pyridinyl]acetamide
CID 175269361
ethyl 3-[3-(trifluoromethyl)phenyl]sulfonylpropanoate
CID 43174233
3-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 4286052
N'-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956077
2-(propanoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-4-carboxamide
CID 67508804
1-[3-(trifluoromethyl)phenyl]sulfonylpentan-2-one
CID 64643363

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]propanamide?
The IUPAC name of N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]propanamide (CID 154077259) is N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]propanamide.
What is the SMILES notation for N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]propanamide?
The canonical SMILES for N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]propanamide is CCC(=O)Nc1cccnc1SCCS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]propanamide?
The InChIKey is RSYXLUVARLBWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S2/c1-2-15(23)22-14-7-4-8-21-16(14)26-9-10-27(24,25)13-6-3-5-12(11-13)17(18,19)20/h3-8,11H,2,9-10H2,1H3,(H,22,23).
What are the key properties of N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]propanamide?
N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]propanamide has a molecular weight of 418.46 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]propanamide is sourced from PubChem (CID 154077259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).