2-(4-chlorophenoxy)-N-(2-phenylsulfanylethyl)acetamide

C16H16ClNO2S — CID 2283889

IUPAC2-(4-chlorophenoxy)-N-(2-phenylsulfanylethyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCSc1ccccc1
InChIInChI=1S/C16H16ClNO2S/c17-13-6-8-14(9-7-13)20-12-16(19)18-10-11-21-15-4-2-1-3-5-15/h1-9H,10-12H2,(H,18,19)
InChIKeyWIZUPPOIXZWDTC-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.63
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-(2-phenylsulfanylethyl)acetamide

2-(4-chlorophenoxy)-N-(2-phenylsulfanylethyl)acetamide (PubChem CID 2283889) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(2-phenylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(2-phenylsulfanylethyl)acetamide
PubChem CID2283889
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name2-(4-chlorophenoxy)-N-(2-phenylsulfanylethyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCSc1ccccc1
InChIInChI=1S/C16H16ClNO2S/c17-13-6-8-14(9-7-13)20-12-16(19)18-10-11-21-15-4-2-1-3-5-15/h1-9H,10-12H2,(H,18,19)
InChIKeyWIZUPPOIXZWDTC-UHFFFAOYSA-N
XLogP3.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-{2-[(2-chlorophenyl)methylthio]ethyl}-2-phenoxyacetamide
CID 2281988
[2-(4-Chloro-phenoxy)-ethyl]-(3-phenylsulfanyl-propyl)-amine
CID 10615787
[2-(4-Chloro-phenylsulfanyl)-ethyl]-(3-phenoxy-propyl)-amine
CID 10782049
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
N-[2-(4-chlorobenzenesulfonyl)-2-(thiophen-2-yl)ethyl]-2-phenoxyacetamide
CID 16032111
N-[2-(4-chlorophenoxy)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 9171522
2-(4-chlorophenoxy)-N-(2-oxothiolan-3-yl)acetamide
CID 654685
N-{2-[(3-chlorobenzyl)thio]ethyl}-2-(2-methoxyphenoxy)acetamide
CID 2264233
N-{2-[(4-chlorophenyl)thio]ethyl}-2-(2,4-dichlorophenoxy)acetamide
CID 2278923
N-{2-[(4-chlorobenzyl)thio]ethyl}-2-phenoxyacetamide
CID 2282358

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(2-phenylsulfanylethyl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(2-phenylsulfanylethyl)acetamide (CID 2283889) is 2-(4-chlorophenoxy)-N-(2-phenylsulfanylethyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(2-phenylsulfanylethyl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(2-phenylsulfanylethyl)acetamide is O=C(COc1ccc(Cl)cc1)NCCSc1ccccc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(2-phenylsulfanylethyl)acetamide?
The InChIKey is WIZUPPOIXZWDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c17-13-6-8-14(9-7-13)20-12-16(19)18-10-11-21-15-4-2-1-3-5-15/h1-9H,10-12H2,(H,18,19).
What are the key properties of 2-(4-chlorophenoxy)-N-(2-phenylsulfanylethyl)acetamide?
2-(4-chlorophenoxy)-N-(2-phenylsulfanylethyl)acetamide has a molecular weight of 321.83 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(2-phenylsulfanylethyl)acetamide is sourced from PubChem (CID 2283889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).