4-(diethylsulfamoyl)-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide

C21H26N6O4S — CID 135731907

IUPAC4-(diethylsulfamoyl)-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)nn2-c2nc(C)c(C)c(=O)[nH]2)cc1
InChIInChI=1S/C21H26N6O4S/c1-6-26(7-2)32(30,31)17-10-8-16(9-11-17)20(29)23-18-12-13(3)25-27(18)21-22-15(5)14(4)19(28)24-21/h8-12H,6-7H2,1-5H3,(H,23,29)(H,22,24,28)
InChIKeySPULCWPTJVFEOS-UHFFFAOYSA-N
MW458.54 g/mol
LogP2.16
Rot. Bonds7

About 4-(diethylsulfamoyl)-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide

4-(diethylsulfamoyl)-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide (PubChem CID 135731907) has the molecular formula C21H26N6O4S and a molecular weight of 458.54 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
PubChem CID135731907
Molecular FormulaC21H26N6O4S
Molecular Weight458.54 g/mol
Exact Mass458.17
IUPAC Name4-(diethylsulfamoyl)-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)nn2-c2nc(C)c(C)c(=O)[nH]2)cc1
InChIInChI=1S/C21H26N6O4S/c1-6-26(7-2)32(30,31)17-10-8-16(9-11-17)20(29)23-18-12-13(3)25-27(18)21-22-15(5)14(4)19(28)24-21/h8-12H,6-7H2,1-5H3,(H,23,29)(H,22,24,28)
InChIKeySPULCWPTJVFEOS-UHFFFAOYSA-N
XLogP2.16
TPSA130.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-2-(methylthio)benzamide
CID 135551751
4-(azepan-1-ylsulfonyl)-N-(1-phenylpyrazol-3-yl)benzamide
CID 2308367
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 3242072
1-cyclohexyl-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-5-[(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 57390867
3-methyl-N-(2-methylcyclohexyl)-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57392963
N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-propan-2-ylpyrazole-4-carboxamide
CID 57396213
N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-pentan-3-ylpyrazole-4-carboxamide
CID 57396214
N-[(2R)-3,3-dimethylbutan-2-yl]-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57396468
N-[(2S)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)-3-methyl-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]pyrazole-4-carboxamide
CID 57398260
N-butan-2-yl-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57399910
1-cyclopentyl-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-5-[(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 57401369
3-methyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide
CID 57401682

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide (CID 135731907) is 4-(diethylsulfamoyl)-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)nn2-c2nc(C)c(C)c(=O)[nH]2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide?
The InChIKey is SPULCWPTJVFEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O4S/c1-6-26(7-2)32(30,31)17-10-8-16(9-11-17)20(29)23-18-12-13(3)25-27(18)21-22-15(5)14(4)19(28)24-21/h8-12H,6-7H2,1-5H3,(H,23,29)(H,22,24,28).
What are the key properties of 4-(diethylsulfamoyl)-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide?
4-(diethylsulfamoyl)-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide has a molecular weight of 458.54 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide is sourced from PubChem (CID 135731907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).