2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide

C21H21F3N6O3S — CID 139503462

IUPAC2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide
SMILESCCS(=O)(=O)Nc1nccc(C(C)(C)C(=O)Nc2ccc(-c3cncc(C(F)(F)F)n3)cc2)n1
InChIInChI=1S/C21H21F3N6O3S/c1-4-34(32,33)30-19-26-10-9-16(29-19)20(2,3)18(31)27-14-7-5-13(6-8-14)15-11-25-12-17(28-15)21(22,23)24/h5-12H,4H2,1-3H3,(H,27,31)(H,26,29,30)
InChIKeyXIFSDEPGXMRZHM-UHFFFAOYSA-N
MW494.50 g/mol
LogP3.63
Rot. Bonds7

About 2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide

2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide (PubChem CID 139503462) has the molecular formula C21H21F3N6O3S and a molecular weight of 494.50 g/mol. Its IUPAC name is 2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide.

Molecular Properties

Compound Name2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide
PubChem CID139503462
Molecular FormulaC21H21F3N6O3S
Molecular Weight494.50 g/mol
Exact Mass494.13
IUPAC Name2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide
SMILESCCS(=O)(=O)Nc1nccc(C(C)(C)C(=O)Nc2ccc(-c3cncc(C(F)(F)F)n3)cc2)n1
InChIInChI=1S/C21H21F3N6O3S/c1-4-34(32,33)30-19-26-10-9-16(29-19)20(2,3)18(31)27-14-7-5-13(6-8-14)15-11-25-12-17(28-15)21(22,23)24/h5-12H,4H2,1-3H3,(H,27,31)(H,26,29,30)
InChIKeyXIFSDEPGXMRZHM-UHFFFAOYSA-N
XLogP3.63
TPSA126.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.50
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]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-(ethylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide?
The IUPAC name of 2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide (CID 139503462) is 2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide.
What is the SMILES notation for 2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide?
The canonical SMILES for 2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide is CCS(=O)(=O)Nc1nccc(C(C)(C)C(=O)Nc2ccc(-c3cncc(C(F)(F)F)n3)cc2)n1.
What is the InChIKey of 2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide?
The InChIKey is XIFSDEPGXMRZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6O3S/c1-4-34(32,33)30-19-26-10-9-16(29-19)20(2,3)18(31)27-14-7-5-13(6-8-14)15-11-25-12-17(28-15)21(22,23)24/h5-12H,4H2,1-3H3,(H,27,31)(H,26,29,30).
What are the key properties of 2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide?
2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide has a molecular weight of 494.50 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide is sourced from PubChem (CID 139503462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).