N-(3-tert-butylphenyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide

C20H23F3N2O3S — CID 58198687

IUPACN-(3-tert-butylphenyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide
SMILESCC(C)(C)c1cccc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(C(F)(F)F)nc2)c1
InChIInChI=1S/C20H23F3N2O3S/c1-18(2,3)13-7-6-8-14(11-13)25-17(26)19(4,5)29(27,28)15-9-10-16(24-12-15)20(21,22)23/h6-12H,1-5H3,(H,25,26)
InChIKeyQWZXFWMIFGLYRB-UHFFFAOYSA-N
MW428.48 g/mol
LogP4.59
Rot. Bonds4

About N-(3-tert-butylphenyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide

N-(3-tert-butylphenyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide (PubChem CID 58198687) has the molecular formula C20H23F3N2O3S and a molecular weight of 428.48 g/mol. Its IUPAC name is N-(3-tert-butylphenyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide.

Molecular Properties

Compound NameN-(3-tert-butylphenyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide
PubChem CID58198687
Molecular FormulaC20H23F3N2O3S
Molecular Weight428.48 g/mol
Exact Mass428.14
IUPAC NameN-(3-tert-butylphenyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide
SMILESCC(C)(C)c1cccc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(C(F)(F)F)nc2)c1
InChIInChI=1S/C20H23F3N2O3S/c1-18(2,3)13-7-6-8-14(11-13)25-17(26)19(4,5)29(27,28)15-9-10-16(24-12-15)20(21,22)23/h6-12H,1-5H3,(H,25,26)
InChIKeyQWZXFWMIFGLYRB-UHFFFAOYSA-N
XLogP4.59
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 44569507
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-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(5-methyl-2-pyridinyl)propanamide;2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 159353939
2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 71371552
2-(4-chlorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
CID 58198626
2-[(6-chloro-3-pyridinyl)sulfonyl]-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 24855875
2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 114329026
2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3512423
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 10542294
2-methyl-N-pyridin-3-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
CID 59662666
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

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butylphenyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide?
The IUPAC name of N-(3-tert-butylphenyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide (CID 58198687) is N-(3-tert-butylphenyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide.
What is the SMILES notation for N-(3-tert-butylphenyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide?
The canonical SMILES for N-(3-tert-butylphenyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide is CC(C)(C)c1cccc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(C(F)(F)F)nc2)c1.
What is the InChIKey of N-(3-tert-butylphenyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide?
The InChIKey is QWZXFWMIFGLYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O3S/c1-18(2,3)13-7-6-8-14(11-13)25-17(26)19(4,5)29(27,28)15-9-10-16(24-12-15)20(21,22)23/h6-12H,1-5H3,(H,25,26).
What are the key properties of N-(3-tert-butylphenyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide?
N-(3-tert-butylphenyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide has a molecular weight of 428.48 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butylphenyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide is sourced from PubChem (CID 58198687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).