2-[5-amino-4-(benzenesulfonyl)-3-ethylsulfanylpyrazol-1-yl]-N-(3,4-dimethylphenyl)acetamide

C21H24N4O3S2 — CID 50790451

IUPAC2-[5-amino-4-(benzenesulfonyl)-3-ethylsulfanylpyrazol-1-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCCSc1nn(CC(=O)Nc2ccc(C)c(C)c2)c(N)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H24N4O3S2/c1-4-29-21-19(30(27,28)17-8-6-5-7-9-17)20(22)25(24-21)13-18(26)23-16-11-10-14(2)15(3)12-16/h5-12H,4,13,22H2,1-3H3,(H,23,26)
InChIKeyYRYIJHIGCHECQT-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.67
Rot. Bonds7

About 2-[5-amino-4-(benzenesulfonyl)-3-ethylsulfanylpyrazol-1-yl]-N-(3,4-dimethylphenyl)acetamide

2-[5-amino-4-(benzenesulfonyl)-3-ethylsulfanylpyrazol-1-yl]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 50790451) has the molecular formula C21H24N4O3S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-[5-amino-4-(benzenesulfonyl)-3-ethylsulfanylpyrazol-1-yl]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-amino-4-(benzenesulfonyl)-3-ethylsulfanylpyrazol-1-yl]-N-(3,4-dimethylphenyl)acetamide
PubChem CID50790451
Molecular FormulaC21H24N4O3S2
Molecular Weight444.58 g/mol
Exact Mass444.13
IUPAC Name2-[5-amino-4-(benzenesulfonyl)-3-ethylsulfanylpyrazol-1-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCCSc1nn(CC(=O)Nc2ccc(C)c(C)c2)c(N)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H24N4O3S2/c1-4-29-21-19(30(27,28)17-8-6-5-7-9-17)20(22)25(24-21)13-18(26)23-16-11-10-14(2)15(3)12-16/h5-12H,4,13,22H2,1-3H3,(H,23,26)
InChIKeyYRYIJHIGCHECQT-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

Analyze 2-[5-amino-4-(benzenesulfonyl)-3-ethylsulfanylpyrazol-1-yl]-N-(3,4-dimethylphenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[5-amino-4-(benzenesulfonyl)-3-ethylsulfanylpyrazol-1-yl]-N-(4-methylphenyl)acetamide
CID 50790450
2-[5-amino-3-ethylsulfanyl-4-(4-methylphenyl)sulfonylpyrazol-1-yl]-N-(4-methylphenyl)acetamide
CID 18591622
2-[5-amino-3-ethylsulfanyl-4-(4-methoxyphenyl)sulfonylpyrazol-1-yl]-N-(5-chloro-2-methylphenyl)acetamide
CID 18592165
ethyl 2-[[2-[5-amino-4-(benzenesulfonyl)-3-methylsulfanylpyrazol-1-yl]acetyl]amino]benzoate
CID 50790380
N-(3-acetylphenyl)-2-[5-amino-4-(4-fluorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]acetamide
CID 50790553
2-[5-amino-4-(4-methylphenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 50790440
2-[5-amino-4-(benzenesulfonyl)-3-(3-methylanilino)pyrazol-1-yl]-N-(4-ethylphenyl)acetamide
CID 91623445
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-fluorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(2-ethylphenyl)acetamide
CID 42585199
2-[5-amino-4-(benzenesulfonyl)-3-(4-methylanilino)pyrazol-1-yl]-N-(2-chloro-4-methylphenyl)acetamide
CID 91623371
2-[5-amino-4-(4-fluorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(2-bromophenyl)acetamide
CID 50790583

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-4-(benzenesulfonyl)-3-ethylsulfanylpyrazol-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[5-amino-4-(benzenesulfonyl)-3-ethylsulfanylpyrazol-1-yl]-N-(3,4-dimethylphenyl)acetamide (CID 50790451) is 2-[5-amino-4-(benzenesulfonyl)-3-ethylsulfanylpyrazol-1-yl]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[5-amino-4-(benzenesulfonyl)-3-ethylsulfanylpyrazol-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[5-amino-4-(benzenesulfonyl)-3-ethylsulfanylpyrazol-1-yl]-N-(3,4-dimethylphenyl)acetamide is CCSc1nn(CC(=O)Nc2ccc(C)c(C)c2)c(N)c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[5-amino-4-(benzenesulfonyl)-3-ethylsulfanylpyrazol-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is YRYIJHIGCHECQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S2/c1-4-29-21-19(30(27,28)17-8-6-5-7-9-17)20(22)25(24-21)13-18(26)23-16-11-10-14(2)15(3)12-16/h5-12H,4,13,22H2,1-3H3,(H,23,26).
What are the key properties of 2-[5-amino-4-(benzenesulfonyl)-3-ethylsulfanylpyrazol-1-yl]-N-(3,4-dimethylphenyl)acetamide?
2-[5-amino-4-(benzenesulfonyl)-3-ethylsulfanylpyrazol-1-yl]-N-(3,4-dimethylphenyl)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-4-(benzenesulfonyl)-3-ethylsulfanylpyrazol-1-yl]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 50790451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).