2-[2-[(Z)-[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-phenylacetamide

C24H22ClN3O4S — CID 126221777

IUPAC2-[2-[(Z)-[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-phenylacetamide
SMILESCOc1cccc(/C=N\NC(=O)CSc2ccc(Cl)cc2)c1OCC(=O)Nc1ccccc1
InChIInChI=1S/C24H22ClN3O4S/c1-31-21-9-5-6-17(24(21)32-15-22(29)27-19-7-3-2-4-8-19)14-26-28-23(30)16-33-20-12-10-18(25)11-13-20/h2-14H,15-16H2,1H3,(H,27,29)(H,28,30)/b26-14-
InChIKeyBMJYFEXZBBJWNN-WGARJPEWSA-N
MW483.98 g/mol
LogP4.61
Rot. Bonds10

About 2-[2-[(Z)-[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-phenylacetamide

2-[2-[(Z)-[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-phenylacetamide (PubChem CID 126221777) has the molecular formula C24H22ClN3O4S and a molecular weight of 483.98 g/mol. Its IUPAC name is 2-[2-[(Z)-[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-[(Z)-[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-phenylacetamide
PubChem CID126221777
Molecular FormulaC24H22ClN3O4S
Molecular Weight483.98 g/mol
Exact Mass483.10
IUPAC Name2-[2-[(Z)-[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-phenylacetamide
SMILESCOc1cccc(/C=N\NC(=O)CSc2ccc(Cl)cc2)c1OCC(=O)Nc1ccccc1
InChIInChI=1S/C24H22ClN3O4S/c1-31-21-9-5-6-17(24(21)32-15-22(29)27-19-7-3-2-4-8-19)14-26-28-23(30)16-33-20-12-10-18(25)11-13-20/h2-14H,15-16H2,1H3,(H,27,29)(H,28,30)/b26-14-
InChIKeyBMJYFEXZBBJWNN-WGARJPEWSA-N
XLogP4.61
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.98
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-[(Z)-[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-phenylacetamide 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-(4-chlorophenyl)sulfanyl-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 1153906
2-[2-[(Z)-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 126243651
2-[2-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 6229388
N-(4-chlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide
CID 4651811
N-[(Z)-(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide
CID 126205431
N-[(Z)-[4-(2-anilino-2-oxoethoxy)-2-bromo-5-methoxyphenyl]methylideneamino]-4-chlorobenzamide
CID 126196560
1-(4-chlorophenyl)-3-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]urea
CID 110536875
N-[[2-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-4-cyano-2-fluorobenzamide
CID 1282046
(2S)-2-[2-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]propanoic acid
CID 126236865
N-[(E)-[4-[2-(4-chloroanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]benzamide
CID 126278513
2-(4-chlorophenyl)-N-[(Z)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide
CID 110515731
methyl 2-[4-[(Z)-[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]-2-iodo-6-methoxyphenoxy]acetate
CID 126216386

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2-[(Z)-[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-phenylacetamide (CID 126221777) is 2-[2-[(Z)-[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2-[(Z)-[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2-[(Z)-[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-phenylacetamide is COc1cccc(/C=N\NC(=O)CSc2ccc(Cl)cc2)c1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-[(Z)-[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-phenylacetamide?
The InChIKey is BMJYFEXZBBJWNN-WGARJPEWSA-N. The full InChI is InChI=1S/C24H22ClN3O4S/c1-31-21-9-5-6-17(24(21)32-15-22(29)27-19-7-3-2-4-8-19)14-26-28-23(30)16-33-20-12-10-18(25)11-13-20/h2-14H,15-16H2,1H3,(H,27,29)(H,28,30)/b26-14-.
What are the key properties of 2-[2-[(Z)-[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-phenylacetamide?
2-[2-[(Z)-[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-phenylacetamide has a molecular weight of 483.98 g/mol, XLogP of 4.61, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-phenylacetamide is sourced from PubChem (CID 126221777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).