2-(2,4-difluorophenyl)sulfanyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide

C16H13F5N2OS — CID 71128974

IUPAC2-(2,4-difluorophenyl)sulfanyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCC(C)(Sc1ccc(F)cc1F)C(=O)Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C16H13F5N2OS/c1-15(2,25-11-7-6-9(17)8-10(11)18)14(24)23-13-5-3-4-12(22-13)16(19,20)21/h3-8H,1-2H3,(H,22,23,24)
InChIKeyBYDSTCYSISAEMO-UHFFFAOYSA-N
MW376.35 g/mol
LogP4.89
Rot. Bonds4

About 2-(2,4-difluorophenyl)sulfanyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide

2-(2,4-difluorophenyl)sulfanyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 71128974) has the molecular formula C16H13F5N2OS and a molecular weight of 376.35 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID71128974
Molecular FormulaC16H13F5N2OS
Molecular Weight376.35 g/mol
Exact Mass376.07
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCC(C)(Sc1ccc(F)cc1F)C(=O)Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C16H13F5N2OS/c1-15(2,25-11-7-6-9(17)8-10(11)18)14(24)23-13-5-3-4-12(22-13)16(19,20)21/h3-8H,1-2H3,(H,22,23,24)
InChIKeyBYDSTCYSISAEMO-UHFFFAOYSA-N
XLogP4.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
CID 67043617
2-(3-fluoro-4-methoxyphenyl)sulfanyl-N-[6-(2-fluoro-3-methylhexan-2-yl)-2-pyridinyl]-2-methylpropanamide;hydrate
CID 143618507
2-(4-chlorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
CID 58198626
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-cyano-2-fluorophenyl)sulfanyl-2-methylpropanamide
CID 157232597
2-(4-bromophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
CID 87305835
2-(butylsulfamoyl)-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
CID 68731806
(2R)-2-methoxy-2-phenyl-N-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 95597244
2-[[6-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
CID 51063993
1-[(1S)-1-pyridin-3-ylethyl]-3-[6-(trifluoromethyl)-2-pyridinyl]urea
CID 99604871
3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
CID 64699610
1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-[6-(trifluoromethyl)-2-pyridinyl]urea
CID 97352904
1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[6-(trifluoromethyl)-2-pyridinyl]urea
CID 75477403

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (CID 71128974) is 2-(2,4-difluorophenyl)sulfanyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide is CC(C)(Sc1ccc(F)cc1F)C(=O)Nc1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is BYDSTCYSISAEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F5N2OS/c1-15(2,25-11-7-6-9(17)8-10(11)18)14(24)23-13-5-3-4-12(22-13)16(19,20)21/h3-8H,1-2H3,(H,22,23,24).
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
2-(2,4-difluorophenyl)sulfanyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 376.35 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 71128974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).