2-(4-acetylphenoxy)-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide

C18H18ClNO3S — CID 26374064

IUPAC2-(4-acetylphenoxy)-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)NCCSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H18ClNO3S/c1-13(21)14-2-6-16(7-3-14)23-12-18(22)20-10-11-24-17-8-4-15(19)5-9-17/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeyQZFORMMZXIFOEG-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.83
Rot. Bonds8

About 2-(4-acetylphenoxy)-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide

2-(4-acetylphenoxy)-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide (PubChem CID 26374064) has the molecular formula C18H18ClNO3S and a molecular weight of 363.87 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide
PubChem CID26374064
Molecular FormulaC18H18ClNO3S
Molecular Weight363.87 g/mol
Exact Mass363.07
IUPAC Name2-(4-acetylphenoxy)-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)NCCSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H18ClNO3S/c1-13(21)14-2-6-16(7-3-14)23-12-18(22)20-10-11-24-17-8-4-15(19)5-9-17/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeyQZFORMMZXIFOEG-UHFFFAOYSA-N
XLogP3.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-acetylphenoxy)-N-[2-(4-chlorophenyl)sulfanylethyl]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-(4-acetylphenoxy)-N-(3-phenylsulfanylpropyl)acetamide
CID 26352192
N-[2-(4-bromophenyl)sulfanylethyl]-2-(4-propanoylphenoxy)acetamide
CID 17394310
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethoxy)acetamide
CID 78808707
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,5-dichlorophenoxy)acetamide
CID 18266874
2-(3,4-dichlorophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 7604221
N-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide
CID 3117798
N-[2-(3,4-dichlorophenyl)sulfanylethyl]-2-[4-(methylamino)phenoxy]acetamide
CID 58328954
2-[4-(4-chlorobenzoyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 51141743
methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate
CID 108573294
2-(4-acetylphenoxy)-N-[1-(4-chlorophenyl)propyl]acetamide
CID 51318364
4-acetyl-N-[2-(4-chlorophenyl)sulfanylethyl]benzenesulfonamide
CID 8801384
N-(3-amino-4-methylpent-3-enyl)-2-(4-chlorophenoxy)acetamide
CID 137400318

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide (CID 26374064) is 2-(4-acetylphenoxy)-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide is CC(=O)c1ccc(OCC(=O)NCCSc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide?
The InChIKey is QZFORMMZXIFOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3S/c1-13(21)14-2-6-16(7-3-14)23-12-18(22)20-10-11-24-17-8-4-15(19)5-9-17/h2-9H,10-12H2,1H3,(H,20,22).
What are the key properties of 2-(4-acetylphenoxy)-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide?
2-(4-acetylphenoxy)-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide has a molecular weight of 363.87 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide is sourced from PubChem (CID 26374064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).