2-(4-cyano-2-fluorophenyl)sulfanyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide

C17H13F4N3OS — CID 59662615

IUPAC2-(4-cyano-2-fluorophenyl)sulfanyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCC(C)(Sc1ccc(C#N)cc1F)C(=O)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C17H13F4N3OS/c1-16(2,26-13-5-3-10(8-22)7-12(13)18)15(25)24-14-6-4-11(9-23-14)17(19,20)21/h3-7,9H,1-2H3,(H,23,24,25)
InChIKeyODWIRHIBVHEDMC-UHFFFAOYSA-N
MW383.37 g/mol
LogP4.62
Rot. Bonds4

About 2-(4-cyano-2-fluorophenyl)sulfanyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide

2-(4-cyano-2-fluorophenyl)sulfanyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 59662615) has the molecular formula C17H13F4N3OS and a molecular weight of 383.37 g/mol. Its IUPAC name is 2-(4-cyano-2-fluorophenyl)sulfanyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-(4-cyano-2-fluorophenyl)sulfanyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID59662615
Molecular FormulaC17H13F4N3OS
Molecular Weight383.37 g/mol
Exact Mass383.07
IUPAC Name2-(4-cyano-2-fluorophenyl)sulfanyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCC(C)(Sc1ccc(C#N)cc1F)C(=O)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C17H13F4N3OS/c1-16(2,26-13-5-3-10(8-22)7-12(13)18)15(25)24-14-6-4-11(9-23-14)17(19,20)21/h3-7,9H,1-2H3,(H,23,24,25)
InChIKeyODWIRHIBVHEDMC-UHFFFAOYSA-N
XLogP4.62
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-2-cyano-3-(4-fluorophenyl)-N-(pyridin-2-yl)acrylamide
CID 5396610
N-Pyridin-2-yl-2-(toluene-4-sulfonyl)-acetamide
CID 3163424
(2R)-N-[5-cyano-4-(trifluoromethyl)pyridin-2-yl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
CID 118615044
N-[5-cyano-4-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-2-pyridinyl]prop-2-enamide
CID 156367689
N-(4-methylpyridin-2-yl)-3-phenylsulfanylpropanamide
CID 1251693
N-(5-iodopyridin-2-yl)-2-(p-tolylthio)acetamide
CID 2160970
1-(4-methylphenyl)sulfonyl-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 2315845
3-(4-methylphenyl)sulfonyl-N-(5-methyl-2-pyridinyl)propanamide
CID 4107642
3-(4-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)propanamide
CID 4107644
N-[2-(4-methylphenyl)sulfanylethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 31615144
2-((4-fluorophenyl)thio)-N-(1-(5-(trifluoromethyl)pyridin-2-yl)pyrrolidin-3-yl)acetamide
CID 76148936
3-[[5-(4-fluorophenyl)-2-pyridinyl]sulfanyl]-N-(5-fluoro-2-pyridinyl)propanamide
CID 178305746

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-fluorophenyl)sulfanyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of 2-(4-cyano-2-fluorophenyl)sulfanyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide (CID 59662615) is 2-(4-cyano-2-fluorophenyl)sulfanyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for 2-(4-cyano-2-fluorophenyl)sulfanyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for 2-(4-cyano-2-fluorophenyl)sulfanyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide is CC(C)(Sc1ccc(C#N)cc1F)C(=O)Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-(4-cyano-2-fluorophenyl)sulfanyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is ODWIRHIBVHEDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4N3OS/c1-16(2,26-13-5-3-10(8-22)7-12(13)18)15(25)24-14-6-4-11(9-23-14)17(19,20)21/h3-7,9H,1-2H3,(H,23,24,25).
What are the key properties of 2-(4-cyano-2-fluorophenyl)sulfanyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
2-(4-cyano-2-fluorophenyl)sulfanyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 383.37 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-fluorophenyl)sulfanyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 59662615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).