2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide

C17H16ClFN2OS — CID 110525270

IUPAC2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
SMILESCCSc1ccc(Cl)cc1CC(=O)N/N=C\c1ccc(F)cc1
InChIInChI=1S/C17H16ClFN2OS/c1-2-23-16-8-5-14(18)9-13(16)10-17(22)21-20-11-12-3-6-15(19)7-4-12/h3-9,11H,2,10H2,1H3,(H,21,22)/b20-11-
InChIKeyRJHZPXGZMYKUKB-JAIQZWGSSA-N
MW350.85 g/mol
LogP4.28
Rot. Bonds6

About 2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide

2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide (PubChem CID 110525270) has the molecular formula C17H16ClFN2OS and a molecular weight of 350.85 g/mol. Its IUPAC name is 2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
PubChem CID110525270
Molecular FormulaC17H16ClFN2OS
Molecular Weight350.85 g/mol
Exact Mass350.07
IUPAC Name2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
SMILESCCSc1ccc(Cl)cc1CC(=O)N/N=C\c1ccc(F)cc1
InChIInChI=1S/C17H16ClFN2OS/c1-2-23-16-8-5-14(18)9-13(16)10-17(22)21-20-11-12-3-6-15(19)7-4-12/h3-9,11H,2,10H2,1H3,(H,21,22)/b20-11-
InChIKeyRJHZPXGZMYKUKB-JAIQZWGSSA-N
XLogP4.28
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-fluorophenyl)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

2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide
CID 110525171
[4-[(Z)-[[2-(5-chloro-2-methylsulfanylphenyl)acetyl]hydrazinylidene]methyl]phenyl] 4-fluorobenzoate
CID 110525385
2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide
CID 136874791
2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 136874809
2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
CID 110525442
2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
CID 110525431
2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 110525257
2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 110525145
2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3,5-dichloro-4-hydroxyphenyl)methylideneamino]acetamide
CID 136874829
2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]acetamide
CID 110525209
N-[(Z)-(3-butoxyphenyl)methylideneamino]-2-(5-chloro-2-ethylsulfanylphenyl)acetamide
CID 110525229
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(5-chloro-2-ethylsulfanylphenyl)acetamide
CID 110525151

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide (CID 110525270) is 2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide is CCSc1ccc(Cl)cc1CC(=O)N/N=C\c1ccc(F)cc1.
What is the InChIKey of 2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide?
The InChIKey is RJHZPXGZMYKUKB-JAIQZWGSSA-N. The full InChI is InChI=1S/C17H16ClFN2OS/c1-2-23-16-8-5-14(18)9-13(16)10-17(22)21-20-11-12-3-6-15(19)7-4-12/h3-9,11H,2,10H2,1H3,(H,21,22)/b20-11-.
What are the key properties of 2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide?
2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide has a molecular weight of 350.85 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 110525270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).