N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxyphenoxy)acetamide

C18H20ClNO3S — CID 2283469

IUPACN-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCCSCc1ccccc1Cl
InChIInChI=1S/C18H20ClNO3S/c1-22-16-8-4-5-9-17(16)23-12-18(21)20-10-11-24-13-14-6-2-3-7-15(14)19/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyHSZVIWKSRHNPPH-UHFFFAOYSA-N
MW365.88 g/mol
LogP3.78
Rot. Bonds9

About N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxyphenoxy)acetamide

N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 2283469) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID2283469
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC NameN-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCCSCc1ccccc1Cl
InChIInChI=1S/C18H20ClNO3S/c1-22-16-8-4-5-9-17(16)23-12-18(21)20-10-11-24-13-14-6-2-3-7-15(14)19/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyHSZVIWKSRHNPPH-UHFFFAOYSA-N
XLogP3.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxyphenoxy)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-{2-[(2-chlorophenyl)methylthio]ethyl}-2-phenoxyacetamide
CID 2281988
2-(4-chlorophenoxy)-N-{2-[(2-methylbenzyl)thio]ethyl}acetamide
CID 2177892
N-{2-[(3-chlorobenzyl)thio]ethyl}-2-(4-chlorophenoxy)acetamide
CID 2282212
2-(4-chlorophenoxy)-N-{2-[(3-methylbenzyl)thio]ethyl}acetamide
CID 2285391
(4-Chlorophenyl)methyl 4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate
CID 18284739
N-{2-[(3-chlorobenzyl)thio]ethyl}-2-(2-methoxyphenoxy)acetamide
CID 2264233
N-{2-[(4-chlorobenzyl)thio]ethyl}-2-phenoxyacetamide
CID 2282358
2-(4-chlorophenoxy)-N-[2-(phenylthio)ethyl]acetamide
CID 2283889
N-(2-tert-butylsulfanylethyl)-2-(4-chlorophenoxy)acetamide
CID 2288180
N-{2-[(4-chlorobenzyl)thio]ethyl}-2-(2-methoxyphenoxy)acetamide
CID 2292128
N-{2-[(2-chlorobenzyl)sulfanyl]ethyl}-2-(4-chlorophenoxy)acetamide
CID 2899280
2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 17478496

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxyphenoxy)acetamide (CID 2283469) is N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NCCSCc1ccccc1Cl.
What is the InChIKey of N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is HSZVIWKSRHNPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c1-22-16-8-4-5-9-17(16)23-12-18(21)20-10-11-24-13-14-6-2-3-7-15(14)19/h2-9H,10-13H2,1H3,(H,20,21).
What are the key properties of N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxyphenoxy)acetamide?
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 365.88 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 2283469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).