2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide

C21H18F2N2O4S — CID 141213240

IUPAC2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide
SMILESCC(Oc1ccc(F)cc1F)(C(=O)Nc1ccccn1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C21H18F2N2O4S/c1-21(20(26)25-19-5-3-4-12-24-19,29-18-11-8-15(22)13-17(18)23)14-6-9-16(10-7-14)30(2,27)28/h3-13H,1-2H3,(H,24,25,26)
InChIKeyJWFKKZIFDPSIPQ-UHFFFAOYSA-N
MW432.45 g/mol
LogP3.70
Rot. Bonds6

About 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide

2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide (PubChem CID 141213240) has the molecular formula C21H18F2N2O4S and a molecular weight of 432.45 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide
PubChem CID141213240
Molecular FormulaC21H18F2N2O4S
Molecular Weight432.45 g/mol
Exact Mass432.10
IUPAC Name2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide
SMILESCC(Oc1ccc(F)cc1F)(C(=O)Nc1ccccn1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C21H18F2N2O4S/c1-21(20(26)25-19-5-3-4-12-24-19,29-18-11-8-15(22)13-17(18)23)14-6-9-16(10-7-14)30(2,27)28/h3-13H,1-2H3,(H,24,25,26)
InChIKeyJWFKKZIFDPSIPQ-UHFFFAOYSA-N
XLogP3.70
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide (CID 141213240) is 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide is CC(Oc1ccc(F)cc1F)(C(=O)Nc1ccccn1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide?
The InChIKey is JWFKKZIFDPSIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O4S/c1-21(20(26)25-19-5-3-4-12-24-19,29-18-11-8-15(22)13-17(18)23)14-6-9-16(10-7-14)30(2,27)28/h3-13H,1-2H3,(H,24,25,26).
What are the key properties of 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide?
2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide has a molecular weight of 432.45 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 141213240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).