2-(4-chlorophenoxy)-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide

C20H22ClNO3S — CID 72716989

IUPAC2-(4-chlorophenoxy)-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCC1(Sc2ccccc2)CCOCC1
InChIInChI=1S/C20H22ClNO3S/c21-16-6-8-17(9-7-16)25-14-19(23)22-15-20(10-12-24-13-11-20)26-18-4-2-1-3-5-18/h1-9H,10-15H2,(H,22,23)
InChIKeyYNJZKZAFMZMAER-UHFFFAOYSA-N
MW391.92 g/mol
LogP4.18
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide

2-(4-chlorophenoxy)-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide (PubChem CID 72716989) has the molecular formula C20H22ClNO3S and a molecular weight of 391.92 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide
PubChem CID72716989
Molecular FormulaC20H22ClNO3S
Molecular Weight391.92 g/mol
Exact Mass391.10
IUPAC Name2-(4-chlorophenoxy)-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCC1(Sc2ccccc2)CCOCC1
InChIInChI=1S/C20H22ClNO3S/c21-16-6-8-17(9-7-16)25-14-19(23)22-15-20(10-12-24-13-11-20)26-18-4-2-1-3-5-18/h1-9H,10-15H2,(H,22,23)
InChIKeyYNJZKZAFMZMAER-UHFFFAOYSA-N
XLogP4.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-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-chlorophenoxy)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 9171522
N-{2-[(4-chlorophenyl)thio]ethyl}-2-(2,4-dichlorophenoxy)acetamide
CID 2278923
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-[(2-chlorobenzyl)sulfanyl]ethyl}-2-(4-chlorophenoxy)acetamide
CID 2899280
2-phenoxy-N-[2-(phenylsulfanyl)ethyl]acetamide
CID 2899466

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide (CID 72716989) is 2-(4-chlorophenoxy)-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide is O=C(COc1ccc(Cl)cc1)NCC1(Sc2ccccc2)CCOCC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide?
The InChIKey is YNJZKZAFMZMAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3S/c21-16-6-8-17(9-7-16)25-14-19(23)22-15-20(10-12-24-13-11-20)26-18-4-2-1-3-5-18/h1-9H,10-15H2,(H,22,23).
What are the key properties of 2-(4-chlorophenoxy)-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide?
2-(4-chlorophenoxy)-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide has a molecular weight of 391.92 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide is sourced from PubChem (CID 72716989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).