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

C14H22N2O3S — CID 82181056

IUPAC2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSCCOCCN)cc1
InChIInChI=1S/C14H22N2O3S/c1-2-19-13-5-3-12(4-6-13)16-14(17)11-20-10-9-18-8-7-15/h3-6H,2,7-11,15H2,1H3,(H,16,17)
InChIKeyMRNCHTZNFIWMRH-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.73
Rot. Bonds10

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

2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(4-ethoxyphenyl)acetamide (PubChem CID 82181056) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(4-ethoxyphenyl)acetamide
PubChem CID82181056
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSCCOCCN)cc1
InChIInChI=1S/C14H22N2O3S/c1-2-19-13-5-3-12(4-6-13)16-14(17)11-20-10-9-18-8-7-15/h3-6H,2,7-11,15H2,1H3,(H,16,17)
InChIKeyMRNCHTZNFIWMRH-UHFFFAOYSA-N
XLogP1.73
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 39159101
2-[2-(4-methylphenoxy)ethylsulfanyl]-N-(4-methylphenyl)acetamide
CID 7731594
2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(3-chlorophenyl)acetamide
CID 82181058
2-[2-[2-(4-ethoxyanilino)-2-oxoethoxy]ethoxy]-N-(4-ethoxyphenyl)acetamide
CID 101189832
2-[3-(4-methylphenoxy)propylsulfanyl]-N-(4-methylphenyl)acetamide
CID 7731597
N-(4-ethoxyphenyl)-2-phenacylsulfanylacetamide
CID 23408886
ethyl 2-[2-(4-butoxyanilino)-2-oxoethyl]sulfanylacetate
CID 650071
methyl 4-[[2-[2-(4-methylphenoxy)ethylsulfanyl]acetyl]amino]benzoate
CID 31543376
2-(4-aminobutylsulfanyl)-N-(4-methoxyphenyl)acetamide
CID 82180185
2-(cyanomethylsulfanyl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide
CID 43069042
N-(4-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591885
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(2-iodophenyl)acetamide
CID 42998398

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(4-ethoxyphenyl)acetamide (CID 82181056) is 2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CSCCOCCN)cc1.
What is the InChIKey of 2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is MRNCHTZNFIWMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-19-13-5-3-12(4-6-13)16-14(17)11-20-10-9-18-8-7-15/h3-6H,2,7-11,15H2,1H3,(H,16,17).
What are the key properties of 2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(4-ethoxyphenyl)acetamide?
2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 298.41 g/mol, XLogP of 1.73, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 82181056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).