N-(2,5-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide

C17H17Cl2NO3S — CID 31089312

IUPACN-(2,5-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
SMILESCOc1ccc(OCCSCC(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO3S/c1-22-13-3-5-14(6-4-13)23-8-9-24-11-17(21)20-16-10-12(18)2-7-15(16)19/h2-7,10H,8-9,11H2,1H3,(H,20,21)
InChIKeyOXRRRECKXWFEDF-UHFFFAOYSA-N
MW386.30 g/mol
LogP4.75
Rot. Bonds8

About N-(2,5-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide

N-(2,5-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide (PubChem CID 31089312) has the molecular formula C17H17Cl2NO3S and a molecular weight of 386.30 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
PubChem CID31089312
Molecular FormulaC17H17Cl2NO3S
Molecular Weight386.30 g/mol
Exact Mass385.03
IUPAC NameN-(2,5-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
SMILESCOc1ccc(OCCSCC(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO3S/c1-22-13-3-5-14(6-4-13)23-8-9-24-11-17(21)20-16-10-12(18)2-7-15(16)19/h2-7,10H,8-9,11H2,1H3,(H,20,21)
InChIKeyOXRRRECKXWFEDF-UHFFFAOYSA-N
XLogP4.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 54.75
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

N-(5-chloro-2-cyanophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
CID 134016940
N-(5-chloro-2-methoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide
CID 31091838
N-(2,6-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
CID 31089378
2-[2-(2-chloro-5-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569778
N-(2,5-dimethoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide
CID 31547774
N-(2,5-dimethoxyphenyl)-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide
CID 31544280
2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2-methoxyphenyl)acetamide
CID 7731773
2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 31088675
N-(2,6-dimethylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
CID 31089301
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 49312794
N-(2,5-dichlorophenyl)-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetamide
CID 55432186
N-(2,5-dichlorophenyl)-2-methylsulfanylacetamide
CID 47097975

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide (CID 31089312) is N-(2,5-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide is COc1ccc(OCCSCC(=O)Nc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide?
The InChIKey is OXRRRECKXWFEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3S/c1-22-13-3-5-14(6-4-13)23-8-9-24-11-17(21)20-16-10-12(18)2-7-15(16)19/h2-7,10H,8-9,11H2,1H3,(H,20,21).
What are the key properties of N-(2,5-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide?
N-(2,5-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide has a molecular weight of 386.30 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide is sourced from PubChem (CID 31089312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).