N-[[4-(2-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide

C22H24N6O2S — CID 26349880

IUPACN-[[4-(2-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
SMILESCSc1nnc(CNC(=O)Cc2ccc(N3CCNC3=O)cc2)n1-c1ccccc1C
InChIInChI=1S/C22H24N6O2S/c1-15-5-3-4-6-18(15)28-19(25-26-22(28)31-2)14-24-20(29)13-16-7-9-17(10-8-16)27-12-11-23-21(27)30/h3-10H,11-14H2,1-2H3,(H,23,30)(H,24,29)
InChIKeyKZBDBGRJKSKSOZ-UHFFFAOYSA-N
MW436.54 g/mol
LogP2.69
Rot. Bonds7

About N-[[4-(2-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide

N-[[4-(2-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide (PubChem CID 26349880) has the molecular formula C22H24N6O2S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-[[4-(2-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[[4-(2-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
PubChem CID26349880
Molecular FormulaC22H24N6O2S
Molecular Weight436.54 g/mol
Exact Mass436.17
IUPAC NameN-[[4-(2-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
SMILESCSc1nnc(CNC(=O)Cc2ccc(N3CCNC3=O)cc2)n1-c1ccccc1C
InChIInChI=1S/C22H24N6O2S/c1-15-5-3-4-6-18(15)28-19(25-26-22(28)31-2)14-24-20(29)13-16-7-9-17(10-8-16)27-12-11-23-21(27)30/h3-10H,11-14H2,1-2H3,(H,23,30)(H,24,29)
InChIKeyKZBDBGRJKSKSOZ-UHFFFAOYSA-N
XLogP2.69
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(2-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 42331176
2,3,4-trimethoxy-N-[[4-(2-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
CID 42362743
N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 42332517
N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 26362534
1-[2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 18091997
N-[[4-(2,3-dimethylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide
CID 7085582
N-(2-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 46687823
N-benzyl-2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2544085
(2S)-2-cyclopentyl-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide
CID 125171519
N-(2,6-dimethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 110857589
N-[[2-(hydroxymethyl)phenyl]methyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 71883331
N-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-thiophen-3-ylacetamide
CID 25465037

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide?
The IUPAC name of N-[[4-(2-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide (CID 26349880) is N-[[4-(2-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[[4-(2-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[[4-(2-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide is CSc1nnc(CNC(=O)Cc2ccc(N3CCNC3=O)cc2)n1-c1ccccc1C.
What is the InChIKey of N-[[4-(2-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide?
The InChIKey is KZBDBGRJKSKSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2S/c1-15-5-3-4-6-18(15)28-19(25-26-22(28)31-2)14-24-20(29)13-16-7-9-17(10-8-16)27-12-11-23-21(27)30/h3-10H,11-14H2,1-2H3,(H,23,30)(H,24,29).
What are the key properties of N-[[4-(2-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide?
N-[[4-(2-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide has a molecular weight of 436.54 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 26349880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).