2-methyl-N-pyridin-3-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide

C15H14F3N3O3S — CID 59662666

IUPAC2-methyl-N-pyridin-3-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
SMILESCC(C)(C(=O)Nc1cccnc1)S(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H14F3N3O3S/c1-14(2,13(22)21-11-4-3-7-19-9-11)25(23,24)12-6-5-10(8-20-12)15(16,17)18/h3-9H,1-2H3,(H,21,22)
InChIKeyZTMJHIQXMFZYCB-UHFFFAOYSA-N
MW373.36 g/mol
LogP2.69
Rot. Bonds4

About 2-methyl-N-pyridin-3-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide

2-methyl-N-pyridin-3-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide (PubChem CID 59662666) has the molecular formula C15H14F3N3O3S and a molecular weight of 373.36 g/mol. Its IUPAC name is 2-methyl-N-pyridin-3-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-pyridin-3-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
PubChem CID59662666
Molecular FormulaC15H14F3N3O3S
Molecular Weight373.36 g/mol
Exact Mass373.07
IUPAC Name2-methyl-N-pyridin-3-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
SMILESCC(C)(C(=O)Nc1cccnc1)S(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H14F3N3O3S/c1-14(2,13(22)21-11-4-3-7-19-9-11)25(23,24)12-6-5-10(8-20-12)15(16,17)18/h3-9H,1-2H3,(H,21,22)
InChIKeyZTMJHIQXMFZYCB-UHFFFAOYSA-N
XLogP2.69
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(3-phenylpropyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
CID 57388955
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
N-(2-ethylsulfanylethyl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
CID 2801233
2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 58198489
2-methyl-2-propan-2-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 59703999
2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide
CID 24855970
N'-[3,5-bis(trifluoromethyl)phenyl]-N-pyridin-3-yloxamide
CID 86807604
1-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-3-ylurea
CID 108865005
N-[2-(3-chlorophenyl)sulfanylethyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
CID 67991880
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
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-(3-tert-butylphenyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide
CID 58198687

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pyridin-3-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide?
The IUPAC name of 2-methyl-N-pyridin-3-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide (CID 59662666) is 2-methyl-N-pyridin-3-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide.
What is the SMILES notation for 2-methyl-N-pyridin-3-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide?
The canonical SMILES for 2-methyl-N-pyridin-3-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide is CC(C)(C(=O)Nc1cccnc1)S(=O)(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-methyl-N-pyridin-3-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide?
The InChIKey is ZTMJHIQXMFZYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3S/c1-14(2,13(22)21-11-4-3-7-19-9-11)25(23,24)12-6-5-10(8-20-12)15(16,17)18/h3-9H,1-2H3,(H,21,22).
What are the key properties of 2-methyl-N-pyridin-3-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide?
2-methyl-N-pyridin-3-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide has a molecular weight of 373.36 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pyridin-3-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide is sourced from PubChem (CID 59662666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).