2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]propanamide

C12H15F3N2O3S — CID 127039435

IUPAC2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]propanamide
SMILESCC(C)C(=O)NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H15F3N2O3S/c1-8(2)11(18)16-5-6-21(19,20)10-4-3-9(7-17-10)12(13,14)15/h3-4,7-8H,5-6H2,1-2H3,(H,16,18)
InChIKeyOSSSBZRLWDZFEX-UHFFFAOYSA-N
MW324.32 g/mol
LogP1.65
Rot. Bonds5

About 2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]propanamide

2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]propanamide (PubChem CID 127039435) has the molecular formula C12H15F3N2O3S and a molecular weight of 324.32 g/mol. Its IUPAC name is 2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]propanamide
PubChem CID127039435
Molecular FormulaC12H15F3N2O3S
Molecular Weight324.32 g/mol
Exact Mass324.08
IUPAC Name2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]propanamide
SMILESCC(C)C(=O)NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H15F3N2O3S/c1-8(2)11(18)16-5-6-21(19,20)10-4-3-9(7-17-10)12(13,14)15/h3-4,7-8H,5-6H2,1-2H3,(H,16,18)
InChIKeyOSSSBZRLWDZFEX-UHFFFAOYSA-N
XLogP1.65
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylthio-N-(3-pyridylmethyl)acetamide
CID 800469
N-{2-[(2-chlorophenyl)sulfanyl]ethyl}-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfonyl}propanamide
CID 57388872
N-cyclopentyl-2-pyridin-2-ylsulfanylpropanamide
CID 16312597
2-[5-(Trifluoromethyl)pyridin-2-yl]sulfanylacetamide
CID 2727805
3-(phenylthio)-N-(3-pyridinylmethyl)propanamide
CID 756072
2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylacetic Acid
CID 1479640
N-(2,4-difluorophenyl)-6-(isopropylsulfonyl)nicotinamide
CID 1486242
4-(2-methylpropyl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide
CID 45104342
N1-phenyl-2-{[5-(trifluoromethyl)-2-pyridyl]thio}acetamide
CID 2744376
N-Propyl-2-{[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]sulfanyl}acetamide
CID 7594067
2-[(5-Pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 16312339
N-butan-2-yl-2-[5-[cyclohexyl(methyl)sulfamoyl]pyridin-2-yl]sulfanylacetamide
CID 16328362

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]propanamide (CID 127039435) is 2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]propanamide is CC(C)C(=O)NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]propanamide?
The InChIKey is OSSSBZRLWDZFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3S/c1-8(2)11(18)16-5-6-21(19,20)10-4-3-9(7-17-10)12(13,14)15/h3-4,7-8H,5-6H2,1-2H3,(H,16,18).
What are the key properties of 2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]propanamide?
2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]propanamide has a molecular weight of 324.32 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]propanamide is sourced from PubChem (CID 127039435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).