2-[2-[(Z)-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide

C25H27N5O4S — CID 126243651

IUPAC2-[2-[(Z)-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
SMILESCOc1cccc(/C=N\NC(=O)CSc2nc(C)cc(C)n2)c1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C25H27N5O4S/c1-16-8-10-20(11-9-16)29-22(31)14-34-24-19(6-5-7-21(24)33-4)13-26-30-23(32)15-35-25-27-17(2)12-18(3)28-25/h5-13H,14-15H2,1-4H3,(H,29,31)(H,30,32)/b26-13-
InChIKeyIUQNFLWVJHEIAB-ZMFRSBBQSA-N
MW493.59 g/mol
LogP3.67
Rot. Bonds10

About 2-[2-[(Z)-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide

2-[2-[(Z)-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 126243651) has the molecular formula C25H27N5O4S and a molecular weight of 493.59 g/mol. Its IUPAC name is 2-[2-[(Z)-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(Z)-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
PubChem CID126243651
Molecular FormulaC25H27N5O4S
Molecular Weight493.59 g/mol
Exact Mass493.18
IUPAC Name2-[2-[(Z)-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
SMILESCOc1cccc(/C=N\NC(=O)CSc2nc(C)cc(C)n2)c1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C25H27N5O4S/c1-16-8-10-20(11-9-16)29-22(31)14-34-24-19(6-5-7-21(24)33-4)13-26-30-23(32)15-35-25-27-17(2)12-18(3)28-25/h5-13H,14-15H2,1-4H3,(H,29,31)(H,30,32)/b26-13-
InChIKeyIUQNFLWVJHEIAB-ZMFRSBBQSA-N
XLogP3.67
TPSA114.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135648904
2-[5-bromo-4-[(Z)-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]-N-phenylacetamide
CID 126234261
2-[2-[(Z)-[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-phenylacetamide
CID 126221777
2-[4-[(Z)-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]-2-ethoxy-6-iodophenoxy]-N-(4-methylphenyl)acetamide
CID 126252847
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
CID 135841786
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 6187752
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3407964
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 6029033
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide
CID 5445937
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 6866780
2-[2-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 6229388
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide
CID 51432856

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-[(Z)-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide (CID 126243651) is 2-[2-[(Z)-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(Z)-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[(Z)-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide is COc1cccc(/C=N\NC(=O)CSc2nc(C)cc(C)n2)c1OCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[2-[(Z)-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is IUQNFLWVJHEIAB-ZMFRSBBQSA-N. The full InChI is InChI=1S/C25H27N5O4S/c1-16-8-10-20(11-9-16)29-22(31)14-34-24-19(6-5-7-21(24)33-4)13-26-30-23(32)15-35-25-27-17(2)12-18(3)28-25/h5-13H,14-15H2,1-4H3,(H,29,31)(H,30,32)/b26-13-.
What are the key properties of 2-[2-[(Z)-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide?
2-[2-[(Z)-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 493.59 g/mol, XLogP of 3.67, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 126243651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).