2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2-ethoxyphenyl)acetamide

C18H20ClNO3S — CID 31088675

IUPAC2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CSCCOc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO3S/c1-2-22-17-6-4-3-5-16(17)20-18(21)13-24-12-11-23-15-9-7-14(19)8-10-15/h3-10H,2,11-13H2,1H3,(H,20,21)
InChIKeyLPMDKZLECJXDBA-UHFFFAOYSA-N
MW365.88 g/mol
LogP4.49
Rot. Bonds9

About 2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2-ethoxyphenyl)acetamide

2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2-ethoxyphenyl)acetamide (PubChem CID 31088675) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2-ethoxyphenyl)acetamide
PubChem CID31088675
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC Name2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CSCCOc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO3S/c1-2-22-17-6-4-3-5-16(17)20-18(21)13-24-12-11-23-15-9-7-14(19)8-10-15/h3-10H,2,11-13H2,1H3,(H,20,21)
InChIKeyLPMDKZLECJXDBA-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
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-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2-methoxyphenyl)acetamide
CID 7731773
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 2075755
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(2-iodophenyl)acetamide
CID 42998398
2-(2-bromoethylsulfanyl)-N-(2-ethoxyphenyl)acetamide
CID 92936508
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-ethoxyphenyl)acetamide
CID 9252381
2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 38957471
N-(5-chloro-2-methoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide
CID 31091838
2-[2-(2-bromoanilino)-2-oxoethyl]sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 40913778
2-amino-4-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylbutanoic acid
CID 60920196
N-(2,5-dimethoxyphenyl)-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide
CID 31544280
N-(2,5-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
CID 31089312
N-(2-ethoxyphenyl)-3-(4-fluorophenoxy)propanamide
CID 31895143

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2-ethoxyphenyl)acetamide (CID 31088675) is 2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)CSCCOc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is LPMDKZLECJXDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c1-2-22-17-6-4-3-5-16(17)20-18(21)13-24-12-11-23-15-9-7-14(19)8-10-15/h3-10H,2,11-13H2,1H3,(H,20,21).
What are the key properties of 2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2-ethoxyphenyl)acetamide?
2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 365.88 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 31088675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).