N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(5-chloro-2-ethylsulfanylphenyl)acetamide

C18H18BrClN2O2S — CID 110525151

IUPACN-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(5-chloro-2-ethylsulfanylphenyl)acetamide
SMILESCCSc1ccc(Cl)cc1CC(=O)N/N=C\c1cc(Br)ccc1OC
InChIInChI=1S/C18H18BrClN2O2S/c1-3-25-17-7-5-15(20)9-12(17)10-18(23)22-21-11-13-8-14(19)4-6-16(13)24-2/h4-9,11H,3,10H2,1-2H3,(H,22,23)/b21-11-
InChIKeyKEPOPEAWTHROHH-NHDPSOOVSA-N
MW441.78 g/mol
LogP4.92
Rot. Bonds7

About N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(5-chloro-2-ethylsulfanylphenyl)acetamide

N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(5-chloro-2-ethylsulfanylphenyl)acetamide (PubChem CID 110525151) has the molecular formula C18H18BrClN2O2S and a molecular weight of 441.78 g/mol. Its IUPAC name is N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(5-chloro-2-ethylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(5-chloro-2-ethylsulfanylphenyl)acetamide
PubChem CID110525151
Molecular FormulaC18H18BrClN2O2S
Molecular Weight441.78 g/mol
Exact Mass440.00
IUPAC NameN-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(5-chloro-2-ethylsulfanylphenyl)acetamide
SMILESCCSc1ccc(Cl)cc1CC(=O)N/N=C\c1cc(Br)ccc1OC
InChIInChI=1S/C18H18BrClN2O2S/c1-3-25-17-7-5-15(20)9-12(17)10-18(23)22-21-11-13-8-14(19)4-6-16(13)24-2/h4-9,11H,3,10H2,1-2H3,(H,22,23)/b21-11-
InChIKeyKEPOPEAWTHROHH-NHDPSOOVSA-N
XLogP4.92
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.78
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(5-chloro-2-ethylsulfanylphenyl)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

2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide
CID 136874791
2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 110525371
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 1244687
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2-chloro-5-methoxyphenyl)acetamide
CID 110524973
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(4-chloroanilino)acetamide
CID 4573568
2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]acetamide
CID 110525209
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]nonanamide
CID 5334708
N-[(Z)-(5-chloro-2-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92657822
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-5-chloro-2-hydroxybenzamide
CID 6113383
N-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143947
2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 110525145
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 2344852

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(5-chloro-2-ethylsulfanylphenyl)acetamide?
The IUPAC name of N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(5-chloro-2-ethylsulfanylphenyl)acetamide (CID 110525151) is N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(5-chloro-2-ethylsulfanylphenyl)acetamide.
What is the SMILES notation for N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(5-chloro-2-ethylsulfanylphenyl)acetamide?
The canonical SMILES for N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(5-chloro-2-ethylsulfanylphenyl)acetamide is CCSc1ccc(Cl)cc1CC(=O)N/N=C\c1cc(Br)ccc1OC.
What is the InChIKey of N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(5-chloro-2-ethylsulfanylphenyl)acetamide?
The InChIKey is KEPOPEAWTHROHH-NHDPSOOVSA-N. The full InChI is InChI=1S/C18H18BrClN2O2S/c1-3-25-17-7-5-15(20)9-12(17)10-18(23)22-21-11-13-8-14(19)4-6-16(13)24-2/h4-9,11H,3,10H2,1-2H3,(H,22,23)/b21-11-.
What are the key properties of N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(5-chloro-2-ethylsulfanylphenyl)acetamide?
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(5-chloro-2-ethylsulfanylphenyl)acetamide has a molecular weight of 441.78 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(5-chloro-2-ethylsulfanylphenyl)acetamide is sourced from PubChem (CID 110525151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).