N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(phenoxymethyl)pyrazole-3-carboxamide

C23H22N6O4S — CID 19271029

IUPACN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(phenoxymethyl)pyrazole-3-carboxamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccn(COc4ccccc4)n3)cc2)n1
InChIInChI=1S/C23H22N6O4S/c1-16-14-17(2)25-23(24-16)28-34(31,32)20-10-8-18(9-11-20)26-22(30)21-12-13-29(27-21)15-33-19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,26,30)(H,24,25,28)
InChIKeyJATKKPXCJINVSP-UHFFFAOYSA-N
MW478.53 g/mol
LogP3.38
Rot. Bonds8

About N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(phenoxymethyl)pyrazole-3-carboxamide

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(phenoxymethyl)pyrazole-3-carboxamide (PubChem CID 19271029) has the molecular formula C23H22N6O4S and a molecular weight of 478.53 g/mol. Its IUPAC name is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(phenoxymethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(phenoxymethyl)pyrazole-3-carboxamide
PubChem CID19271029
Molecular FormulaC23H22N6O4S
Molecular Weight478.53 g/mol
Exact Mass478.14
IUPAC NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(phenoxymethyl)pyrazole-3-carboxamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccn(COc4ccccc4)n3)cc2)n1
InChIInChI=1S/C23H22N6O4S/c1-16-14-17(2)25-23(24-16)28-34(31,32)20-10-8-18(9-11-20)26-22(30)21-12-13-29(27-21)15-33-19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,26,30)(H,24,25,28)
InChIKeyJATKKPXCJINVSP-UHFFFAOYSA-N
XLogP3.38
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(3,5-dimethylphenoxy)methyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-3-carboxamide
CID 19276119
1-[(2,3-dichlorophenoxy)methyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-3-carboxamide
CID 19269519
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 19268919
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-[(5-fluoro-2-nitrophenoxy)methyl]pyrazole-3-carboxamide
CID 19280441
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 4954948
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 1116398
1-(phenoxymethyl)-N-pyridin-4-ylpyrazole-3-carboxamide
CID 19271051
1-[(4-bromopyrazol-1-yl)methyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-3-carboxamide
CID 19271640
2-N,6-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 4054283
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]carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953011
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 43885433

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(phenoxymethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(phenoxymethyl)pyrazole-3-carboxamide (CID 19271029) is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(phenoxymethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(phenoxymethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(phenoxymethyl)pyrazole-3-carboxamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccn(COc4ccccc4)n3)cc2)n1.
What is the InChIKey of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(phenoxymethyl)pyrazole-3-carboxamide?
The InChIKey is JATKKPXCJINVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4S/c1-16-14-17(2)25-23(24-16)28-34(31,32)20-10-8-18(9-11-20)26-22(30)21-12-13-29(27-21)15-33-19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,26,30)(H,24,25,28).
What are the key properties of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(phenoxymethyl)pyrazole-3-carboxamide?
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(phenoxymethyl)pyrazole-3-carboxamide has a molecular weight of 478.53 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(phenoxymethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19271029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).