N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide

C21H27N5O4S — CID 56531611

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)ccc1C
InChIInChI=1S/C21H27N5O4S/c1-6-25(7-2)31(29,30)18-10-16(9-8-13(18)3)23-20(27)11-17-14(4)22-19-12-21(28)24-26(19)15(17)5/h8-10,12H,6-7,11H2,1-5H3,(H,23,27)(H,24,28)
InChIKeyYXHBITPJLLZQRL-UHFFFAOYSA-N
MW445.55 g/mol
LogP2.16
Rot. Bonds7

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide (PubChem CID 56531611) has the molecular formula C21H27N5O4S and a molecular weight of 445.55 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
PubChem CID56531611
Molecular FormulaC21H27N5O4S
Molecular Weight445.55 g/mol
Exact Mass445.18
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)ccc1C
InChIInChI=1S/C21H27N5O4S/c1-6-25(7-2)31(29,30)18-10-16(9-8-13(18)3)23-20(27)11-17-14(4)22-19-12-21(28)24-26(19)15(17)5/h8-10,12H,6-7,11H2,1-5H3,(H,23,27)(H,24,28)
InChIKeyYXHBITPJLLZQRL-UHFFFAOYSA-N
XLogP2.16
TPSA116.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide
CID 4840413
1-(4-methylphenyl)sulfonyl-3-[3-oxo-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-pyrazol-5-yl]urea
CID 4251623
4-({[(1Z)-1-(5-oxo-1-phenyl-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene)ethyl]amino}methyl)benzenesulfonamide
CID 135414900
N-ethyl-5-hydroxy-4-[6-(methanesulfonamido)-1,1-dioxo-1,2-benzothiazol-3-yl]-3-oxo-2-phenyl-pyrazole-1-carboxamide
CID 136231163
3-[4-[(2-ethylanilino)methyliminomethyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonamide
CID 174313468
1-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazine-3-carboxamide
CID 4573186
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridazine-3-carboxamide
CID 4794646
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 5014305
1-benzyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-6-oxopyridazine-3-carboxamide
CID 16364626
1-benzyl-N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxopyridazine-3-carboxamide
CID 16380637
N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 16385320
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 17479470

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide (CID 56531611) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The InChIKey is YXHBITPJLLZQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O4S/c1-6-25(7-2)31(29,30)18-10-16(9-8-13(18)3)23-20(27)11-17-14(4)22-19-12-21(28)24-26(19)15(17)5/h8-10,12H,6-7,11H2,1-5H3,(H,23,27)(H,24,28).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-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 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 56531611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).