2-(5-amino-3-methylsulfanyl-4-methylsulfonylpyrazol-1-yl)-N-(3-methylsulfanylphenyl)acetamide

C14H18N4O3S3 — CID 50790569

IUPAC2-(5-amino-3-methylsulfanyl-4-methylsulfonylpyrazol-1-yl)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)Cn2nc(SC)c(S(C)(=O)=O)c2N)c1
InChIInChI=1S/C14H18N4O3S3/c1-22-10-6-4-5-9(7-10)16-11(19)8-18-13(15)12(24(3,20)21)14(17-18)23-2/h4-7H,8,15H2,1-3H3,(H,16,19)
InChIKeyNYWHQVDUYTXGFM-UHFFFAOYSA-N
MW386.52 g/mol
LogP1.95
Rot. Bonds6

About 2-(5-amino-3-methylsulfanyl-4-methylsulfonylpyrazol-1-yl)-N-(3-methylsulfanylphenyl)acetamide

2-(5-amino-3-methylsulfanyl-4-methylsulfonylpyrazol-1-yl)-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 50790569) has the molecular formula C14H18N4O3S3 and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-(5-amino-3-methylsulfanyl-4-methylsulfonylpyrazol-1-yl)-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-3-methylsulfanyl-4-methylsulfonylpyrazol-1-yl)-N-(3-methylsulfanylphenyl)acetamide
PubChem CID50790569
Molecular FormulaC14H18N4O3S3
Molecular Weight386.52 g/mol
Exact Mass386.05
IUPAC Name2-(5-amino-3-methylsulfanyl-4-methylsulfonylpyrazol-1-yl)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)Cn2nc(SC)c(S(C)(=O)=O)c2N)c1
InChIInChI=1S/C14H18N4O3S3/c1-22-10-6-4-5-9(7-10)16-11(19)8-18-13(15)12(24(3,20)21)14(17-18)23-2/h4-7H,8,15H2,1-3H3,(H,16,19)
InChIKeyNYWHQVDUYTXGFM-UHFFFAOYSA-N
XLogP1.95
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 4-[[2-(5-amino-3-methylsulfanyl-4-methylsulfonylpyrazol-1-yl)acetyl]amino]benzoate
CID 50790584
N-(3-acetylphenyl)-2-[5-amino-4-(4-fluorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]acetamide
CID 50790553
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 51208453
2-[5-amino-4-(4-methylphenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 50790440
4-(3-methylsulfanylanilino)-4-oxobutanoate
CID 4085618
[2-(3-methylsulfanylanilino)-2-oxoethyl] 4-methylsulfonylbenzoate
CID 2685582
N-(3-methylsulfanylphenyl)-2-(2-methylsulfonylphenyl)acetamide
CID 110439326
[2-(3-methylsulfanylanilino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 18084982
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-(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-3-methylsulfanyl-4-methylsulfonylpyrazol-1-yl)-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(5-amino-3-methylsulfanyl-4-methylsulfonylpyrazol-1-yl)-N-(3-methylsulfanylphenyl)acetamide (CID 50790569) is 2-(5-amino-3-methylsulfanyl-4-methylsulfonylpyrazol-1-yl)-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(5-amino-3-methylsulfanyl-4-methylsulfonylpyrazol-1-yl)-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(5-amino-3-methylsulfanyl-4-methylsulfonylpyrazol-1-yl)-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)Cn2nc(SC)c(S(C)(=O)=O)c2N)c1.
What is the InChIKey of 2-(5-amino-3-methylsulfanyl-4-methylsulfonylpyrazol-1-yl)-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is NYWHQVDUYTXGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S3/c1-22-10-6-4-5-9(7-10)16-11(19)8-18-13(15)12(24(3,20)21)14(17-18)23-2/h4-7H,8,15H2,1-3H3,(H,16,19).
What are the key properties of 2-(5-amino-3-methylsulfanyl-4-methylsulfonylpyrazol-1-yl)-N-(3-methylsulfanylphenyl)acetamide?
2-(5-amino-3-methylsulfanyl-4-methylsulfonylpyrazol-1-yl)-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 386.52 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methylsulfanyl-4-methylsulfonylpyrazol-1-yl)-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 50790569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).