N-[4-(diethylsulfamoyl)phenyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide

C19H23N5O4S — CID 167969425

IUPACN-[4-(diethylsulfamoyl)phenyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)Cc2c(C)nc3cc[nH]n3c2=O)cc1
InChIInChI=1S/C19H23N5O4S/c1-4-23(5-2)29(27,28)15-8-6-14(7-9-15)22-18(25)12-16-13(3)21-17-10-11-20-24(17)19(16)26/h6-11,20H,4-5,12H2,1-3H3,(H,22,25)
InChIKeyKMZTYPPXGPJHJG-UHFFFAOYSA-N
MW417.49 g/mol
LogP1.54
Rot. Bonds7

About N-[4-(diethylsulfamoyl)phenyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide

N-[4-(diethylsulfamoyl)phenyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide (PubChem CID 167969425) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
PubChem CID167969425
Molecular FormulaC19H23N5O4S
Molecular Weight417.49 g/mol
Exact Mass417.15
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)Cc2c(C)nc3cc[nH]n3c2=O)cc1
InChIInChI=1S/C19H23N5O4S/c1-4-23(5-2)29(27,28)15-8-6-14(7-9-15)22-18(25)12-16-13(3)21-17-10-11-20-24(17)19(16)26/h6-11,20H,4-5,12H2,1-3H3,(H,22,25)
InChIKeyKMZTYPPXGPJHJG-UHFFFAOYSA-N
XLogP1.54
TPSA116.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,6-dichlorophenyl)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 7760312
N-[2-fluoro-5-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]phenyl]-2-methylfuran-3-carboxamide
CID 86890295
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-bromo-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 46736589
N-[4-(diethylsulfamoyl)phenyl]-2-[[(2S)-2-hydroxypropyl]amino]acetamide
CID 2458881
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9415957
N-[4-(diethylsulfamoyl)phenyl]-2-(3-fluoro-4-methylanilino)acetamide
CID 9100034
(2S)-4-methyl-2-[[2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetyl]amino]pentanoic acid
CID 120695761
2-[[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2459457
N-[4-(diethylsulfamoyl)phenyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide
CID 86936663
N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 8901829
2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
CID 138992929

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide (CID 167969425) is N-[4-(diethylsulfamoyl)phenyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cc2c(C)nc3cc[nH]n3c2=O)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The InChIKey is KMZTYPPXGPJHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S/c1-4-23(5-2)29(27,28)15-8-6-14(7-9-15)22-18(25)12-16-13(3)21-17-10-11-20-24(17)19(16)26/h6-11,20H,4-5,12H2,1-3H3,(H,22,25).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
N-[4-(diethylsulfamoyl)phenyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide has a molecular weight of 417.49 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 167969425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).