2-(difluoromethylsulfanyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide

C16H13F5N2O2S — CID 55548799

IUPAC2-(difluoromethylsulfanyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)c1cccnc1SC(F)F
InChIInChI=1S/C16H13F5N2O2S/c1-23(9-10-5-2-3-7-12(10)25-16(19,20)21)14(24)11-6-4-8-22-13(11)26-15(17)18/h2-8,15H,9H2,1H3
InChIKeyVVDOBQJFRBXJGE-UHFFFAOYSA-N
MW392.35 g/mol
LogP4.57
Rot. Bonds6

About 2-(difluoromethylsulfanyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide

2-(difluoromethylsulfanyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 55548799) has the molecular formula C16H13F5N2O2S and a molecular weight of 392.35 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
PubChem CID55548799
Molecular FormulaC16H13F5N2O2S
Molecular Weight392.35 g/mol
Exact Mass392.06
IUPAC Name2-(difluoromethylsulfanyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)c1cccnc1SC(F)F
InChIInChI=1S/C16H13F5N2O2S/c1-23(9-10-5-2-3-7-12(10)25-16(19,20)21)14(24)11-6-4-8-22-13(11)26-15(17)18/h2-8,15H,9H2,1H3
InChIKeyVVDOBQJFRBXJGE-UHFFFAOYSA-N
XLogP4.57
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.35
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide
CID 24544420
2-(2-methoxyethoxy)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 55997231
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide
CID 55380693
N,2,5-trimethyl-1-(pyridin-2-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrole-3-carboxamide
CID 78864814
N-methyl-2-(thiophene-2-carbonyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38274579
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyridine-3-carboxamide
CID 2525601
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 119278540
5-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 24661008
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 25494912
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 119278536
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119278535
7-fluoro-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]quinoline-4-carboxamide
CID 55608409

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide (CID 55548799) is 2-(difluoromethylsulfanyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide is CN(Cc1ccccc1OC(F)(F)F)C(=O)c1cccnc1SC(F)F.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is VVDOBQJFRBXJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F5N2O2S/c1-23(9-10-5-2-3-7-12(10)25-16(19,20)21)14(24)11-6-4-8-22-13(11)26-15(17)18/h2-8,15H,9H2,1H3.
What are the key properties of 2-(difluoromethylsulfanyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
2-(difluoromethylsulfanyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 392.35 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 55548799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).