2-methyl-2-propan-2-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide

C13H17F3N2O3S — CID 59703999

IUPAC2-methyl-2-propan-2-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCC(C)S(=O)(=O)C(C)(C)C(=O)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H17F3N2O3S/c1-8(2)22(20,21)12(3,4)11(19)18-10-6-5-9(7-17-10)13(14,15)16/h5-8H,1-4H3,(H,17,18,19)
InChIKeyQSOVSCZZLIDMMO-UHFFFAOYSA-N
MW338.35 g/mol
LogP2.64
Rot. Bonds4

About 2-methyl-2-propan-2-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide

2-methyl-2-propan-2-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 59703999) has the molecular formula C13H17F3N2O3S and a molecular weight of 338.35 g/mol. Its IUPAC name is 2-methyl-2-propan-2-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-methyl-2-propan-2-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID59703999
Molecular FormulaC13H17F3N2O3S
Molecular Weight338.35 g/mol
Exact Mass338.09
IUPAC Name2-methyl-2-propan-2-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCC(C)S(=O)(=O)C(C)(C)C(=O)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H17F3N2O3S/c1-8(2)22(20,21)12(3,4)11(19)18-10-6-5-9(7-17-10)13(14,15)16/h5-8H,1-4H3,(H,17,18,19)
InChIKeyQSOVSCZZLIDMMO-UHFFFAOYSA-N
XLogP2.64
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide
CID 24855970
2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 58198489
2-[(6-chloro-3-pyridinyl)sulfonyl]-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 24855875
2-(butylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 68730839
2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 24856002
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]propanamide;2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 159032670
2-(4-cyanophenyl)sulfonyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide;2-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 88879379
2-(benzenesulfonyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide;2-(benzenesulfonyl)-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 157281303
N-(5-tert-butyl-2-pyridinyl)-2,2-dimethylpropanamide
CID 58417149
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-pyridin-3-ylsulfonylpropanamide;2-methyl-2-[4-(trifluoromethyl)phenyl]sulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 159303314
2-methyl-N-pyridin-3-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
CID 59662666
4-tert-butyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
CID 8505628

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propan-2-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of 2-methyl-2-propan-2-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide (CID 59703999) is 2-methyl-2-propan-2-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for 2-methyl-2-propan-2-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for 2-methyl-2-propan-2-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide is CC(C)S(=O)(=O)C(C)(C)C(=O)Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-methyl-2-propan-2-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is QSOVSCZZLIDMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3S/c1-8(2)22(20,21)12(3,4)11(19)18-10-6-5-9(7-17-10)13(14,15)16/h5-8H,1-4H3,(H,17,18,19).
What are the key properties of 2-methyl-2-propan-2-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
2-methyl-2-propan-2-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 338.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propan-2-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 59703999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).