2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide

C19H20F2N6O3S — CID 19523572

IUPAC2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Cn3nc(C(F)F)cc3C)cc2)n1
InChIInChI=1S/C19H20F2N6O3S/c1-11-8-12(2)23-19(22-11)26-31(29,30)15-6-4-14(5-7-15)24-17(28)10-27-13(3)9-16(25-27)18(20)21/h4-9,18H,10H2,1-3H3,(H,24,28)(H,22,23,26)
InChIKeyANJREPKCIJXAMV-UHFFFAOYSA-N
MW450.47 g/mol
LogP2.98
Rot. Bonds7

About 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide

2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 19523572) has the molecular formula C19H20F2N6O3S and a molecular weight of 450.47 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID19523572
Molecular FormulaC19H20F2N6O3S
Molecular Weight450.47 g/mol
Exact Mass450.13
IUPAC Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Cn3nc(C(F)F)cc3C)cc2)n1
InChIInChI=1S/C19H20F2N6O3S/c1-11-8-12(2)23-19(22-11)26-31(29,30)15-6-4-14(5-7-15)24-17(28)10-27-13(3)9-16(25-27)18(20)21/h4-9,18H,10H2,1-3H3,(H,24,28)(H,22,23,26)
InChIKeyANJREPKCIJXAMV-UHFFFAOYSA-N
XLogP2.98
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 19526692
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide
CID 19529833
3-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 4199590
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 25036662
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 19519979
2-(2,5-dimethylphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 28580204
5-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-5-oxopentanoic acid
CID 2813400
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]hexanamide
CID 4180072
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525778
2-cyclopentyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 2428955
1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide
CID 4549702
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-methoxyphenyl)sulfanylacetamide
CID 25043414

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide (CID 19523572) is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Cn3nc(C(F)F)cc3C)cc2)n1.
What is the InChIKey of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is ANJREPKCIJXAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6O3S/c1-11-8-12(2)23-19(22-11)26-31(29,30)15-6-4-14(5-7-15)24-17(28)10-27-13(3)9-16(25-27)18(20)21/h4-9,18H,10H2,1-3H3,(H,24,28)(H,22,23,26).
What are the key properties of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 450.47 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 19523572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).