N-[(Z)-(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide

C18H18Cl2N2O3S — CID 126205431

IUPACN-[(Z)-(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide
SMILESCCOc1cc(Cl)c(/C=N\NC(=O)CSc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C18H18Cl2N2O3S/c1-3-25-17-9-15(20)12(8-16(17)24-2)10-21-22-18(23)11-26-14-6-4-13(19)5-7-14/h4-10H,3,11H2,1-2H3,(H,22,23)/b21-10-
InChIKeyBTPYTNBLPQGFLQ-FBHDLOMBSA-N
MW413.33 g/mol
LogP4.64
Rot. Bonds8

About N-[(Z)-(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide

N-[(Z)-(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide (PubChem CID 126205431) has the molecular formula C18H18Cl2N2O3S and a molecular weight of 413.33 g/mol. Its IUPAC name is N-[(Z)-(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(Z)-(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide
PubChem CID126205431
Molecular FormulaC18H18Cl2N2O3S
Molecular Weight413.33 g/mol
Exact Mass412.04
IUPAC NameN-[(Z)-(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide
SMILESCCOc1cc(Cl)c(/C=N\NC(=O)CSc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C18H18Cl2N2O3S/c1-3-25-17-9-15(20)12(8-16(17)24-2)10-21-22-18(23)11-26-14-6-4-13(19)5-7-14/h4-10H,3,11H2,1-2H3,(H,22,23)/b21-10-
InChIKeyBTPYTNBLPQGFLQ-FBHDLOMBSA-N
XLogP4.64
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.33
LogP ≤ 54.64
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 N-[(Z)-(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide 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-[(Z)-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]acetamide
CID 126224801
2-(4-chlorophenyl)sulfanyl-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 1153906
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 19208840
N-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide
CID 136726879
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(3-methoxy-4-methylphenyl)methylideneamino]acetamide
CID 5393653
2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]acetamide
CID 126217170
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 126215637
2-[2-[(Z)-[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-phenylacetamide
CID 126221777
2-(4-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methylideneamino]acetamide
CID 689942
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide
CID 136847021
1-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 5180373
N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 54784583

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide?
The IUPAC name of N-[(Z)-(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide (CID 126205431) is N-[(Z)-(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[(Z)-(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide?
The canonical SMILES for N-[(Z)-(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide is CCOc1cc(Cl)c(/C=N\NC(=O)CSc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of N-[(Z)-(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide?
The InChIKey is BTPYTNBLPQGFLQ-FBHDLOMBSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3S/c1-3-25-17-9-15(20)12(8-16(17)24-2)10-21-22-18(23)11-26-14-6-4-13(19)5-7-14/h4-10H,3,11H2,1-2H3,(H,22,23)/b21-10-.
What are the key properties of N-[(Z)-(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide?
N-[(Z)-(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide has a molecular weight of 413.33 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide is sourced from PubChem (CID 126205431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).