N-(2,5-dimethoxyphenyl)-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide

C20H25NO5S — CID 31544280

IUPACN-(2,5-dimethoxyphenyl)-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide
SMILESCCOc1ccc(OCCSCC(=O)Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C20H25NO5S/c1-4-25-15-5-7-16(8-6-15)26-11-12-27-14-20(22)21-18-13-17(23-2)9-10-19(18)24-3/h5-10,13H,4,11-12,14H2,1-3H3,(H,21,22)
InChIKeyBKMQVXYWWANEAB-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.85
Rot. Bonds11

About N-(2,5-dimethoxyphenyl)-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide

N-(2,5-dimethoxyphenyl)-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide (PubChem CID 31544280) has the molecular formula C20H25NO5S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide
PubChem CID31544280
Molecular FormulaC20H25NO5S
Molecular Weight391.49 g/mol
Exact Mass391.15
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide
SMILESCCOc1ccc(OCCSCC(=O)Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C20H25NO5S/c1-4-25-15-5-7-16(8-6-15)26-11-12-27-14-20(22)21-18-13-17(23-2)9-10-19(18)24-3/h5-10,13H,4,11-12,14H2,1-3H3,(H,21,22)
InChIKeyBKMQVXYWWANEAB-UHFFFAOYSA-N
XLogP3.85
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
N-(5-chloro-2-methoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide
CID 31091838
N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenoxy)propanamide
CID 17034633
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(2-iodophenyl)acetamide
CID 42998398
[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 3-(4-ethoxyphenoxy)propanoate
CID 46789638
N-(2,5-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
CID 31089312
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 676177
N-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)acetamide
CID 134064364
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907113
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 31088675

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide (CID 31544280) is N-(2,5-dimethoxyphenyl)-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide is CCOc1ccc(OCCSCC(=O)Nc2cc(OC)ccc2OC)cc1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide?
The InChIKey is BKMQVXYWWANEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5S/c1-4-25-15-5-7-16(8-6-15)26-11-12-27-14-20(22)21-18-13-17(23-2)9-10-19(18)24-3/h5-10,13H,4,11-12,14H2,1-3H3,(H,21,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide has a molecular weight of 391.49 g/mol, XLogP of 3.85, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide is sourced from PubChem (CID 31544280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).