N-(3-acetylphenyl)-2-[5-amino-4-(4-fluorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]acetamide

C20H19FN4O4S2 — CID 50790553

IUPACN-(3-acetylphenyl)-2-[5-amino-4-(4-fluorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]acetamide
SMILESCSc1nn(CC(=O)Nc2cccc(C(C)=O)c2)c(N)c1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H19FN4O4S2/c1-12(26)13-4-3-5-15(10-13)23-17(27)11-25-19(22)18(20(24-25)30-2)31(28,29)16-8-6-14(21)7-9-16/h3-10H,11,22H2,1-2H3,(H,23,27)
InChIKeyOQSUJMHVMFAEII-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.00
Rot. Bonds7

About N-(3-acetylphenyl)-2-[5-amino-4-(4-fluorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]acetamide

N-(3-acetylphenyl)-2-[5-amino-4-(4-fluorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]acetamide (PubChem CID 50790553) has the molecular formula C20H19FN4O4S2 and a molecular weight of 462.53 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[5-amino-4-(4-fluorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[5-amino-4-(4-fluorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]acetamide
PubChem CID50790553
Molecular FormulaC20H19FN4O4S2
Molecular Weight462.53 g/mol
Exact Mass462.08
IUPAC NameN-(3-acetylphenyl)-2-[5-amino-4-(4-fluorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]acetamide
SMILESCSc1nn(CC(=O)Nc2cccc(C(C)=O)c2)c(N)c1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H19FN4O4S2/c1-12(26)13-4-3-5-15(10-13)23-17(27)11-25-19(22)18(20(24-25)30-2)31(28,29)16-8-6-14(21)7-9-16/h3-10H,11,22H2,1-2H3,(H,23,27)
InChIKeyOQSUJMHVMFAEII-UHFFFAOYSA-N
XLogP3.00
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-amino-4-(4-fluorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(2-ethylphenyl)acetamide
CID 42585199
2-[5-amino-4-(4-methylphenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 50790440
2-[5-amino-4-(4-methylphenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(2-chlorophenyl)acetamide
CID 50790506
2-[5-amino-4-(4-chlorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 50790606
2-[5-amino-4-(4-chlorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 50790597
N-(3-acetylphenyl)-2-(4-fluorophenyl)sulfonylacetamide
CID 7544853
2-[5-amino-4-(benzenesulfonyl)-3-ethylsulfanylpyrazol-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 50790451
2-[5-amino-3-ethylsulfanyl-4-(4-methylphenyl)sulfonylpyrazol-1-yl]-N-(4-methylphenyl)acetamide
CID 18591622
methyl 4-[[2-(5-amino-3-methylsulfanyl-4-methylsulfonylpyrazol-1-yl)acetyl]amino]benzoate
CID 50790584
N-(3-acetylphenyl)-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 53073446
N-(3-acetylphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide
CID 53490509
N-(3-acetylphenyl)-2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetamide
CID 126397930

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[5-amino-4-(4-fluorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[5-amino-4-(4-fluorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]acetamide (CID 50790553) is N-(3-acetylphenyl)-2-[5-amino-4-(4-fluorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[5-amino-4-(4-fluorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[5-amino-4-(4-fluorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]acetamide is CSc1nn(CC(=O)Nc2cccc(C(C)=O)c2)c(N)c1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(3-acetylphenyl)-2-[5-amino-4-(4-fluorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]acetamide?
The InChIKey is OQSUJMHVMFAEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O4S2/c1-12(26)13-4-3-5-15(10-13)23-17(27)11-25-19(22)18(20(24-25)30-2)31(28,29)16-8-6-14(21)7-9-16/h3-10H,11,22H2,1-2H3,(H,23,27).
What are the key properties of N-(3-acetylphenyl)-2-[5-amino-4-(4-fluorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]acetamide?
N-(3-acetylphenyl)-2-[5-amino-4-(4-fluorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]acetamide has a molecular weight of 462.53 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[5-amino-4-(4-fluorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]acetamide is sourced from PubChem (CID 50790553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).