2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]acetamide

C24H21Cl3N2O3S — CID 126217170

IUPAC2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]acetamide
SMILESCCOc1cc(/C=N\NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H21Cl3N2O3S/c1-2-31-23-12-16(4-10-22(23)32-14-17-3-9-20(26)21(27)11-17)13-28-29-24(30)15-33-19-7-5-18(25)6-8-19/h3-13H,2,14-15H2,1H3,(H,29,30)/b28-13-
InChIKeyMFGHDWBXTJSBHI-QDTIIGTASA-N
MW523.87 g/mol
LogP6.87
Rot. Bonds10

About 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]acetamide

2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]acetamide (PubChem CID 126217170) has the molecular formula C24H21Cl3N2O3S and a molecular weight of 523.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]acetamide
PubChem CID126217170
Molecular FormulaC24H21Cl3N2O3S
Molecular Weight523.87 g/mol
Exact Mass522.03
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]acetamide
SMILESCCOc1cc(/C=N\NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H21Cl3N2O3S/c1-2-31-23-12-16(4-10-22(23)32-14-17-3-9-20(26)21(27)11-17)13-28-29-24(30)15-33-19-7-5-18(25)6-8-19/h3-13H,2,14-15H2,1H3,(H,29,30)/b28-13-
InChIKeyMFGHDWBXTJSBHI-QDTIIGTASA-N
XLogP6.87
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.87
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]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

N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 5429358
4-[[4-[(Z)-[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]methyl]benzoic acid
CID 126222728
4-chloro-N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]aniline
CID 110506076
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 3286053
N-[(Z)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide
CID 126136682
N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-thiophen-2-ylacetamide
CID 126212779
N-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide
CID 136726879
4-[[2-bromo-4-[(Z)-[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126222112
1-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-ethylthiourea
CID 20998516
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 19208840
N-(3-chloro-2-methylphenyl)-N'-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]pentanediamide
CID 126158323
3,4-dichloro-N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]aniline
CID 110840523

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]acetamide (CID 126217170) is 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]acetamide is CCOc1cc(/C=N\NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]acetamide?
The InChIKey is MFGHDWBXTJSBHI-QDTIIGTASA-N. The full InChI is InChI=1S/C24H21Cl3N2O3S/c1-2-31-23-12-16(4-10-22(23)32-14-17-3-9-20(26)21(27)11-17)13-28-29-24(30)15-33-19-7-5-18(25)6-8-19/h3-13H,2,14-15H2,1H3,(H,29,30)/b28-13-.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]acetamide has a molecular weight of 523.87 g/mol, XLogP of 6.87, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]acetamide is sourced from PubChem (CID 126217170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).