2-[5-amino-3-ethylsulfanyl-4-(4-methylphenyl)sulfonylpyrazol-1-yl]-N-(4-methylphenyl)acetamide

C21H24N4O3S2 — CID 18591622

IUPAC2-[5-amino-3-ethylsulfanyl-4-(4-methylphenyl)sulfonylpyrazol-1-yl]-N-(4-methylphenyl)acetamide
SMILESCCSc1nn(CC(=O)Nc2ccc(C)cc2)c(N)c1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H24N4O3S2/c1-4-29-21-19(30(27,28)17-11-7-15(3)8-12-17)20(22)25(24-21)13-18(26)23-16-9-5-14(2)6-10-16/h5-12H,4,13,22H2,1-3H3,(H,23,26)
InChIKeyZMNHLCRKEXIONH-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.67
Rot. Bonds7

About 2-[5-amino-3-ethylsulfanyl-4-(4-methylphenyl)sulfonylpyrazol-1-yl]-N-(4-methylphenyl)acetamide

2-[5-amino-3-ethylsulfanyl-4-(4-methylphenyl)sulfonylpyrazol-1-yl]-N-(4-methylphenyl)acetamide (PubChem CID 18591622) has the molecular formula C21H24N4O3S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-[5-amino-3-ethylsulfanyl-4-(4-methylphenyl)sulfonylpyrazol-1-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-amino-3-ethylsulfanyl-4-(4-methylphenyl)sulfonylpyrazol-1-yl]-N-(4-methylphenyl)acetamide
PubChem CID18591622
Molecular FormulaC21H24N4O3S2
Molecular Weight444.58 g/mol
Exact Mass444.13
IUPAC Name2-[5-amino-3-ethylsulfanyl-4-(4-methylphenyl)sulfonylpyrazol-1-yl]-N-(4-methylphenyl)acetamide
SMILESCCSc1nn(CC(=O)Nc2ccc(C)cc2)c(N)c1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H24N4O3S2/c1-4-29-21-19(30(27,28)17-11-7-15(3)8-12-17)20(22)25(24-21)13-18(26)23-16-9-5-14(2)6-10-16/h5-12H,4,13,22H2,1-3H3,(H,23,26)
InChIKeyZMNHLCRKEXIONH-UHFFFAOYSA-N
XLogP3.67
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-amino-4-(benzenesulfonyl)-3-ethylsulfanylpyrazol-1-yl]-N-(4-methylphenyl)acetamide
CID 50790450
2-[5-amino-4-(benzenesulfonyl)-3-ethylsulfanylpyrazol-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 50790451
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
N-(3-acetylphenyl)-2-[5-amino-4-(4-fluorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]acetamide
CID 50790553
2-[5-amino-4-(benzenesulfonyl)-3-(3-methylanilino)pyrazol-1-yl]-N-(4-ethylphenyl)acetamide
CID 91623445
ethyl 2-[[2-[5-amino-4-(benzenesulfonyl)-3-methylsulfanylpyrazol-1-yl]acetyl]amino]benzoate
CID 50790380
2-[5-amino-4-(benzenesulfonyl)-3-(4-methylanilino)pyrazol-1-yl]-N-(2-chloro-4-methylphenyl)acetamide
CID 91623371
methyl 4-[[2-(5-amino-3-methylsulfanyl-4-methylsulfonylpyrazol-1-yl)acetyl]amino]benzoate
CID 50790584
2-[5-methyl-2-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazol-3-yl]-N-(4-methylphenyl)acetamide
CID 3779859
2-[5-amino-4-(4-chlorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 50790597

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-ethylsulfanyl-4-(4-methylphenyl)sulfonylpyrazol-1-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[5-amino-3-ethylsulfanyl-4-(4-methylphenyl)sulfonylpyrazol-1-yl]-N-(4-methylphenyl)acetamide (CID 18591622) is 2-[5-amino-3-ethylsulfanyl-4-(4-methylphenyl)sulfonylpyrazol-1-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[5-amino-3-ethylsulfanyl-4-(4-methylphenyl)sulfonylpyrazol-1-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[5-amino-3-ethylsulfanyl-4-(4-methylphenyl)sulfonylpyrazol-1-yl]-N-(4-methylphenyl)acetamide is CCSc1nn(CC(=O)Nc2ccc(C)cc2)c(N)c1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[5-amino-3-ethylsulfanyl-4-(4-methylphenyl)sulfonylpyrazol-1-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is ZMNHLCRKEXIONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S2/c1-4-29-21-19(30(27,28)17-11-7-15(3)8-12-17)20(22)25(24-21)13-18(26)23-16-9-5-14(2)6-10-16/h5-12H,4,13,22H2,1-3H3,(H,23,26).
What are the key properties of 2-[5-amino-3-ethylsulfanyl-4-(4-methylphenyl)sulfonylpyrazol-1-yl]-N-(4-methylphenyl)acetamide?
2-[5-amino-3-ethylsulfanyl-4-(4-methylphenyl)sulfonylpyrazol-1-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 444.58 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-ethylsulfanyl-4-(4-methylphenyl)sulfonylpyrazol-1-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 18591622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).