2-[4-methyl-3-(4-methylphenyl)sulfonyl-8-phenyl-4H-pyrazolo[5,1-c][1,2,4]triazin-1-yl]-N-phenylacetamide

C27H25N5O3S — CID 134717333

IUPAC2-[4-methyl-3-(4-methylphenyl)sulfonyl-8-phenyl-4H-pyrazolo[5,1-c][1,2,4]triazin-1-yl]-N-phenylacetamide
SMILESCc1ccc(S(=O)(=O)C2=NN(CC(=O)Nc3ccccc3)c3c(-c4ccccc4)cnn3C2C)cc1
InChIInChI=1S/C27H25N5O3S/c1-19-13-15-23(16-14-19)36(34,35)26-20(2)32-27(24(17-28-32)21-9-5-3-6-10-21)31(30-26)18-25(33)29-22-11-7-4-8-12-22/h3-17,20H,18H2,1-2H3,(H,29,33)
InChIKeyGRUIILFAOTYQNS-UHFFFAOYSA-N
MW499.60 g/mol
LogP4.67
Rot. Bonds5

About 2-[4-methyl-3-(4-methylphenyl)sulfonyl-8-phenyl-4H-pyrazolo[5,1-c][1,2,4]triazin-1-yl]-N-phenylacetamide

2-[4-methyl-3-(4-methylphenyl)sulfonyl-8-phenyl-4H-pyrazolo[5,1-c][1,2,4]triazin-1-yl]-N-phenylacetamide (PubChem CID 134717333) has the molecular formula C27H25N5O3S and a molecular weight of 499.60 g/mol. Its IUPAC name is 2-[4-methyl-3-(4-methylphenyl)sulfonyl-8-phenyl-4H-pyrazolo[5,1-c][1,2,4]triazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-methyl-3-(4-methylphenyl)sulfonyl-8-phenyl-4H-pyrazolo[5,1-c][1,2,4]triazin-1-yl]-N-phenylacetamide
PubChem CID134717333
Molecular FormulaC27H25N5O3S
Molecular Weight499.60 g/mol
Exact Mass499.17
IUPAC Name2-[4-methyl-3-(4-methylphenyl)sulfonyl-8-phenyl-4H-pyrazolo[5,1-c][1,2,4]triazin-1-yl]-N-phenylacetamide
SMILESCc1ccc(S(=O)(=O)C2=NN(CC(=O)Nc3ccccc3)c3c(-c4ccccc4)cnn3C2C)cc1
InChIInChI=1S/C27H25N5O3S/c1-19-13-15-23(16-14-19)36(34,35)26-20(2)32-27(24(17-28-32)21-9-5-3-6-10-21)31(30-26)18-25(33)29-22-11-7-4-8-12-22/h3-17,20H,18H2,1-2H3,(H,29,33)
InChIKeyGRUIILFAOTYQNS-UHFFFAOYSA-N
XLogP4.67
TPSA96.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.60
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methylphenyl)-2-[(3R)-2-oxo-7-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide
CID 136826173
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CID 26727449
N-[4-(6-methyl-4-phenylquinolin-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 24685354
2-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 7747387
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
2-[4-(4-fluorocyclohexyl)-5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]-N-phenylacetamide
CID 142174453
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide
CID 22776004
N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide
CID 8880850
2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-pyridin-3-ylacetamide
CID 16935688
2-[5-amino-4-(benzenesulfonyl)-3-ethylsulfanylpyrazol-1-yl]-N-(4-methylphenyl)acetamide
CID 50790450
2-(7-methyl-4-oxo-3-phenylquinolin-1-yl)-N-(4-methylphenyl)acetamide
CID 25016735
5-amino-1-[2-(4-methylanilino)-2-oxoethyl]-N-phenyltriazole-4-carboxamide
CID 22423731

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-3-(4-methylphenyl)sulfonyl-8-phenyl-4H-pyrazolo[5,1-c][1,2,4]triazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-methyl-3-(4-methylphenyl)sulfonyl-8-phenyl-4H-pyrazolo[5,1-c][1,2,4]triazin-1-yl]-N-phenylacetamide (CID 134717333) is 2-[4-methyl-3-(4-methylphenyl)sulfonyl-8-phenyl-4H-pyrazolo[5,1-c][1,2,4]triazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-methyl-3-(4-methylphenyl)sulfonyl-8-phenyl-4H-pyrazolo[5,1-c][1,2,4]triazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-methyl-3-(4-methylphenyl)sulfonyl-8-phenyl-4H-pyrazolo[5,1-c][1,2,4]triazin-1-yl]-N-phenylacetamide is Cc1ccc(S(=O)(=O)C2=NN(CC(=O)Nc3ccccc3)c3c(-c4ccccc4)cnn3C2C)cc1.
What is the InChIKey of 2-[4-methyl-3-(4-methylphenyl)sulfonyl-8-phenyl-4H-pyrazolo[5,1-c][1,2,4]triazin-1-yl]-N-phenylacetamide?
The InChIKey is GRUIILFAOTYQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3S/c1-19-13-15-23(16-14-19)36(34,35)26-20(2)32-27(24(17-28-32)21-9-5-3-6-10-21)31(30-26)18-25(33)29-22-11-7-4-8-12-22/h3-17,20H,18H2,1-2H3,(H,29,33).
What are the key properties of 2-[4-methyl-3-(4-methylphenyl)sulfonyl-8-phenyl-4H-pyrazolo[5,1-c][1,2,4]triazin-1-yl]-N-phenylacetamide?
2-[4-methyl-3-(4-methylphenyl)sulfonyl-8-phenyl-4H-pyrazolo[5,1-c][1,2,4]triazin-1-yl]-N-phenylacetamide has a molecular weight of 499.60 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-3-(4-methylphenyl)sulfonyl-8-phenyl-4H-pyrazolo[5,1-c][1,2,4]triazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 134717333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).