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

C21H27N5O4S — CID 56552429

IUPACN-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C21H27N5O4S/c1-13-16(14(2)26-18(23-13)11-20(28)24-26)10-19(27)22-12-15-8-6-7-9-17(15)31(29,30)25-21(3,4)5/h6-9,11,25H,10,12H2,1-5H3,(H,22,27)(H,24,28)
InChIKeyFFUUSWORIXBMBE-UHFFFAOYSA-N
MW445.55 g/mol
LogP1.58
Rot. Bonds6

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

N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide (PubChem CID 56552429) has the molecular formula C21H27N5O4S and a molecular weight of 445.55 g/mol. Its IUPAC name is N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
PubChem CID56552429
Molecular FormulaC21H27N5O4S
Molecular Weight445.55 g/mol
Exact Mass445.18
IUPAC NameN-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C21H27N5O4S/c1-13-16(14(2)26-18(23-13)11-20(28)24-26)10-19(27)22-12-15-8-6-7-9-17(15)31(29,30)25-21(3,4)5/h6-9,11,25H,10,12H2,1-5H3,(H,22,27)(H,24,28)
InChIKeyFFUUSWORIXBMBE-UHFFFAOYSA-N
XLogP1.58
TPSA125.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The IUPAC name of N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide (CID 56552429) is N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide is Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The InChIKey is FFUUSWORIXBMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O4S/c1-13-16(14(2)26-18(23-13)11-20(28)24-26)10-19(27)22-12-15-8-6-7-9-17(15)31(29,30)25-21(3,4)5/h6-9,11,25H,10,12H2,1-5H3,(H,22,27)(H,24,28).
What are the key properties of N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide has a molecular weight of 445.55 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 56552429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).