N-(2,6-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide

C17H17Cl2NO3S — CID 31089378

IUPACN-(2,6-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
SMILESCOc1ccc(OCCSCC(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO3S/c1-22-12-5-7-13(8-6-12)23-9-10-24-11-16(21)20-17-14(18)3-2-4-15(17)19/h2-8H,9-11H2,1H3,(H,20,21)
InChIKeyDKQLOSNZFALJCD-UHFFFAOYSA-N
MW386.30 g/mol
LogP4.75
Rot. Bonds8

About N-(2,6-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide

N-(2,6-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide (PubChem CID 31089378) has the molecular formula C17H17Cl2NO3S and a molecular weight of 386.30 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
PubChem CID31089378
Molecular FormulaC17H17Cl2NO3S
Molecular Weight386.30 g/mol
Exact Mass385.03
IUPAC NameN-(2,6-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
SMILESCOc1ccc(OCCSCC(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO3S/c1-22-12-5-7-13(8-6-12)23-9-10-24-11-16(21)20-17-14(18)3-2-4-15(17)19/h2-8H,9-11H2,1H3,(H,20,21)
InChIKeyDKQLOSNZFALJCD-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-(2,6-dimethylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
CID 31089301
2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 38957471
N-(2,5-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
CID 31089312
methyl 3-[2-(2,6-dichloroanilino)-2-oxoethyl]sulfanylpropanoate
CID 8785569
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 31089360
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 49312794
N-(5-chloro-2-cyanophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
CID 134016940
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(4-nitrophenyl)acetamide
CID 49313212
2-[2-(4-methylphenoxy)ethylsulfanyl]-N-(4-methylphenyl)acetamide
CID 7731594
N-(2,5-dimethoxyphenyl)-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide
CID 31544280
N-(2,5-dimethoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide
CID 31547774
N-(5-chloro-2-methoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide
CID 31091838

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide (CID 31089378) is N-(2,6-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide is COc1ccc(OCCSCC(=O)Nc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide?
The InChIKey is DKQLOSNZFALJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3S/c1-22-12-5-7-13(8-6-12)23-9-10-24-11-16(21)20-17-14(18)3-2-4-15(17)19/h2-8H,9-11H2,1H3,(H,20,21).
What are the key properties of N-(2,6-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide?
N-(2,6-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-(2,6-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide is sourced from PubChem (CID 31089378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).