2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide

C19H23N5O4S — CID 56531612

IUPAC2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C
InChIInChI=1S/C19H23N5O4S/c1-11-6-7-14(29(27,28)23(4)5)8-16(11)21-18(25)9-15-12(2)20-17-10-19(26)22-24(17)13(15)3/h6-8,10H,9H2,1-5H3,(H,21,25)(H,22,26)
InChIKeyIMWIPAABDDRZBX-UHFFFAOYSA-N
MW417.49 g/mol
LogP1.38
Rot. Bonds5

About 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide

2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide (PubChem CID 56531612) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
PubChem CID56531612
Molecular FormulaC19H23N5O4S
Molecular Weight417.49 g/mol
Exact Mass417.15
IUPAC Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C
InChIInChI=1S/C19H23N5O4S/c1-11-6-7-14(29(27,28)23(4)5)8-16(11)21-18(25)9-15-12(2)20-17-10-19(26)22-24(17)13(15)3/h6-8,10H,9H2,1-5H3,(H,21,25)(H,22,26)
InChIKeyIMWIPAABDDRZBX-UHFFFAOYSA-N
XLogP1.38
TPSA116.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 56531921
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 18200170
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 56531847
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 56549830
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-phenylacetamide
CID 7689071
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 56531860
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 111483473
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 8899935
N-(4-cyclopentylsulfanylphenyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 56540542
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135443878
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(prop-2-enylamino)acetamide
CID 78908238
2-[[5-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 4243618

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide (CID 56531612) is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C.
What is the InChIKey of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide?
The InChIKey is IMWIPAABDDRZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S/c1-11-6-7-14(29(27,28)23(4)5)8-16(11)21-18(25)9-15-12(2)20-17-10-19(26)22-24(17)13(15)3/h6-8,10H,9H2,1-5H3,(H,21,25)(H,22,26).
What are the key properties of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide?
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide has a molecular weight of 417.49 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide is sourced from PubChem (CID 56531612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).