N-[1-(2-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide

C20H24ClNO3S — CID 43000850

IUPACN-[1-(2-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide
SMILESCCOc1ccc(OCCSCC(=O)NC(C)c2ccccc2Cl)cc1
InChIInChI=1S/C20H24ClNO3S/c1-3-24-16-8-10-17(11-9-16)25-12-13-26-14-20(23)22-15(2)18-6-4-5-7-19(18)21/h4-11,15H,3,12-14H2,1-2H3,(H,22,23)
InChIKeyWEIPYUGAEKPONO-UHFFFAOYSA-N
MW393.94 g/mol
LogP4.73
Rot. Bonds10

About N-[1-(2-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide

N-[1-(2-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide (PubChem CID 43000850) has the molecular formula C20H24ClNO3S and a molecular weight of 393.94 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide
PubChem CID43000850
Molecular FormulaC20H24ClNO3S
Molecular Weight393.94 g/mol
Exact Mass393.12
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide
SMILESCCOc1ccc(OCCSCC(=O)NC(C)c2ccccc2Cl)cc1
InChIInChI=1S/C20H24ClNO3S/c1-3-24-16-8-10-17(11-9-16)25-12-13-26-14-20(23)22-15(2)18-6-4-5-7-19(18)21/h4-11,15H,3,12-14H2,1-2H3,(H,22,23)
InChIKeyWEIPYUGAEKPONO-UHFFFAOYSA-N
XLogP4.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(2-iodophenyl)acetamide
CID 42998398
2-amino-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119268984
2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 31088675
N-(3-methylbutan-2-yl)-2-[2-(4-methylphenoxy)ethylsulfanyl]acetamide
CID 134016910
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 7697704
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468
N-[1-(2-chlorophenyl)ethyl]-2-(methylamino)acetamide
CID 60641198
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 28954114
2-[[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772390
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855207
2-[bis(2-methoxyethyl)amino]-N-[1-(2-chlorophenyl)ethyl]acetamide
CID 78807153

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide (CID 43000850) is N-[1-(2-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide is CCOc1ccc(OCCSCC(=O)NC(C)c2ccccc2Cl)cc1.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide?
The InChIKey is WEIPYUGAEKPONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO3S/c1-3-24-16-8-10-17(11-9-16)25-12-13-26-14-20(23)22-15(2)18-6-4-5-7-19(18)21/h4-11,15H,3,12-14H2,1-2H3,(H,22,23).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide?
N-[1-(2-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide has a molecular weight of 393.94 g/mol, XLogP of 4.73, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide is sourced from PubChem (CID 43000850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).