2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(1H-pyrazol-5-yl)propanamide

C19H17F2N3O4S — CID 24961240

IUPAC2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(1H-pyrazol-5-yl)propanamide
SMILESCC(Oc1ccc(F)cc1F)(C(=O)Nc1ccn[nH]1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H17F2N3O4S/c1-19(18(25)23-17-9-10-22-24-17,28-16-8-5-13(20)11-15(16)21)12-3-6-14(7-4-12)29(2,26)27/h3-11H,1-2H3,(H2,22,23,24,25)
InChIKeyAOQUEZCCRYYXAS-UHFFFAOYSA-N
MW421.43 g/mol
LogP3.02
Rot. Bonds6

About 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(1H-pyrazol-5-yl)propanamide

2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(1H-pyrazol-5-yl)propanamide (PubChem CID 24961240) has the molecular formula C19H17F2N3O4S and a molecular weight of 421.43 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(1H-pyrazol-5-yl)propanamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(1H-pyrazol-5-yl)propanamide
PubChem CID24961240
Molecular FormulaC19H17F2N3O4S
Molecular Weight421.43 g/mol
Exact Mass421.09
IUPAC Name2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(1H-pyrazol-5-yl)propanamide
SMILESCC(Oc1ccc(F)cc1F)(C(=O)Nc1ccn[nH]1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H17F2N3O4S/c1-19(18(25)23-17-9-10-22-24-17,28-16-8-5-13(20)11-15(16)21)12-3-6-14(7-4-12)29(2,26)27/h3-11H,1-2H3,(H2,22,23,24,25)
InChIKeyAOQUEZCCRYYXAS-UHFFFAOYSA-N
XLogP3.02
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(1H-pyrazol-5-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(1H-pyrazol-5-yl)propanamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(1H-pyrazol-5-yl)propanamide (CID 24961240) is 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(1H-pyrazol-5-yl)propanamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(1H-pyrazol-5-yl)propanamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(1H-pyrazol-5-yl)propanamide is CC(Oc1ccc(F)cc1F)(C(=O)Nc1ccn[nH]1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(1H-pyrazol-5-yl)propanamide?
The InChIKey is AOQUEZCCRYYXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O4S/c1-19(18(25)23-17-9-10-22-24-17,28-16-8-5-13(20)11-15(16)21)12-3-6-14(7-4-12)29(2,26)27/h3-11H,1-2H3,(H2,22,23,24,25).
What are the key properties of 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(1H-pyrazol-5-yl)propanamide?
2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(1H-pyrazol-5-yl)propanamide has a molecular weight of 421.43 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 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-(1H-pyrazol-5-yl)propanamide is sourced from PubChem (CID 24961240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).