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

C20H19F3N6O3S — CID 139503383

IUPAC2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide
SMILESCC(C)(C(=O)Nc1ccc(-c2cncc(C(F)(F)F)n2)cc1)c1ccnc(NS(C)(=O)=O)n1
InChIInChI=1S/C20H19F3N6O3S/c1-19(2,15-8-9-25-18(28-15)29-33(3,31)32)17(30)26-13-6-4-12(5-7-13)14-10-24-11-16(27-14)20(21,22)23/h4-11H,1-3H3,(H,26,30)(H,25,28,29)
InChIKeyUJRYCNAIXUVDAJ-UHFFFAOYSA-N
MW480.47 g/mol
LogP3.24
Rot. Bonds6

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

2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide (PubChem CID 139503383) has the molecular formula C20H19F3N6O3S and a molecular weight of 480.47 g/mol. Its IUPAC name is 2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide.

Molecular Properties

Compound Name2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide
PubChem CID139503383
Molecular FormulaC20H19F3N6O3S
Molecular Weight480.47 g/mol
Exact Mass480.12
IUPAC Name2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide
SMILESCC(C)(C(=O)Nc1ccc(-c2cncc(C(F)(F)F)n2)cc1)c1ccnc(NS(C)(=O)=O)n1
InChIInChI=1S/C20H19F3N6O3S/c1-19(2,15-8-9-25-18(28-15)29-33(3,31)32)17(30)26-13-6-4-12(5-7-13)14-10-24-11-16(27-14)20(21,22)23/h4-11H,1-3H3,(H,26,30)(H,25,28,29)
InChIKeyUJRYCNAIXUVDAJ-UHFFFAOYSA-N
XLogP3.24
TPSA126.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.47
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide?
The IUPAC name of 2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide (CID 139503383) is 2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide.
What is the SMILES notation for 2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide?
The canonical SMILES for 2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide is CC(C)(C(=O)Nc1ccc(-c2cncc(C(F)(F)F)n2)cc1)c1ccnc(NS(C)(=O)=O)n1.
What is the InChIKey of 2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide?
The InChIKey is UJRYCNAIXUVDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O3S/c1-19(2,15-8-9-25-18(28-15)29-33(3,31)32)17(30)26-13-6-4-12(5-7-13)14-10-24-11-16(27-14)20(21,22)23/h4-11H,1-3H3,(H,26,30)(H,25,28,29).
What are the key properties of 2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide?
2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide has a molecular weight of 480.47 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide is sourced from PubChem (CID 139503383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).