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

C20H17F2N3O4S — CID 67485916

IUPAC2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyrazin-2-ylpropanamide
SMILESCC(Oc1ccc(F)cc1F)(C(=O)Nc1cnccn1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H17F2N3O4S/c1-20(19(26)25-18-12-23-9-10-24-18,29-17-8-5-14(21)11-16(17)22)13-3-6-15(7-4-13)30(2,27)28/h3-12H,1-2H3,(H,24,25,26)
InChIKeyUSWMVAVBTBFYLZ-UHFFFAOYSA-N
MW433.44 g/mol
LogP3.09
Rot. Bonds6

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

2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyrazin-2-ylpropanamide (PubChem CID 67485916) has the molecular formula C20H17F2N3O4S and a molecular weight of 433.44 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyrazin-2-ylpropanamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyrazin-2-ylpropanamide
PubChem CID67485916
Molecular FormulaC20H17F2N3O4S
Molecular Weight433.44 g/mol
Exact Mass433.09
IUPAC Name2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyrazin-2-ylpropanamide
SMILESCC(Oc1ccc(F)cc1F)(C(=O)Nc1cnccn1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H17F2N3O4S/c1-20(19(26)25-18-12-23-9-10-24-18,29-17-8-5-14(21)11-16(17)22)13-3-6-15(7-4-13)30(2,27)28/h3-12H,1-2H3,(H,24,25,26)
InChIKeyUSWMVAVBTBFYLZ-UHFFFAOYSA-N
XLogP3.09
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyrazin-2-ylpropanamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyrazin-2-ylpropanamide (CID 67485916) is 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyrazin-2-ylpropanamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyrazin-2-ylpropanamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyrazin-2-ylpropanamide is CC(Oc1ccc(F)cc1F)(C(=O)Nc1cnccn1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyrazin-2-ylpropanamide?
The InChIKey is USWMVAVBTBFYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O4S/c1-20(19(26)25-18-12-23-9-10-24-18,29-17-8-5-14(21)11-16(17)22)13-3-6-15(7-4-13)30(2,27)28/h3-12H,1-2H3,(H,24,25,26).
What are the key properties of 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyrazin-2-ylpropanamide?
2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyrazin-2-ylpropanamide has a molecular weight of 433.44 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyrazin-2-ylpropanamide is sourced from PubChem (CID 67485916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).