N-(5-chloro-2-methoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide

C20H24ClNO4S — CID 31091838

IUPACN-(5-chloro-2-methoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide
SMILESCCCOc1ccc(OCCSCC(=O)Nc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C20H24ClNO4S/c1-3-10-25-16-5-7-17(8-6-16)26-11-12-27-14-20(23)22-18-13-15(21)4-9-19(18)24-2/h4-9,13H,3,10-12,14H2,1-2H3,(H,22,23)
InChIKeyGKUBCOSRNZNTEQ-UHFFFAOYSA-N
MW409.94 g/mol
LogP4.89
Rot. Bonds11

About N-(5-chloro-2-methoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide (PubChem CID 31091838) has the molecular formula C20H24ClNO4S and a molecular weight of 409.94 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide
PubChem CID31091838
Molecular FormulaC20H24ClNO4S
Molecular Weight409.94 g/mol
Exact Mass409.11
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide
SMILESCCCOc1ccc(OCCSCC(=O)Nc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C20H24ClNO4S/c1-3-10-25-16-5-7-17(8-6-16)26-11-12-27-14-20(23)22-18-13-15(21)4-9-19(18)24-2/h4-9,13H,3,10-12,14H2,1-2H3,(H,22,23)
InChIKeyGKUBCOSRNZNTEQ-UHFFFAOYSA-N
XLogP4.89
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide
CID 31547774
N-(2,5-dimethoxyphenyl)-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide
CID 31544280
N-(2,5-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
CID 31089312
2-(3-aminopropylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 66217565
N-(5-chloro-2-cyanophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
CID 134016940
2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2-methoxyphenyl)acetamide
CID 7731773
N-(5-chloro-2-methoxyphenyl)-2-(4-octoxyphenoxy)acetamide
CID 4733029
2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 31088675
N-(5-chloro-2-methoxyphenyl)-4-(4-ethylphenoxy)butanamide
CID 19184672
N-(5-chloro-2-methoxyphenyl)-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide
CID 112762838
2-(3-butoxyphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 4733171
2-(2-aminobutylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 66229626

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide (CID 31091838) is N-(5-chloro-2-methoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide is CCCOc1ccc(OCCSCC(=O)Nc2cc(Cl)ccc2OC)cc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide?
The InChIKey is GKUBCOSRNZNTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO4S/c1-3-10-25-16-5-7-17(8-6-16)26-11-12-27-14-20(23)22-18-13-15(21)4-9-19(18)24-2/h4-9,13H,3,10-12,14H2,1-2H3,(H,22,23).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide has a molecular weight of 409.94 g/mol, XLogP of 4.89, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide is sourced from PubChem (CID 31091838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).