2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(2,5-dimethylphenyl)acetamide

C14H22N2O2S — CID 82181054

IUPAC2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CSCCOCCN)c1
InChIInChI=1S/C14H22N2O2S/c1-11-3-4-12(2)13(9-11)16-14(17)10-19-8-7-18-6-5-15/h3-4,9H,5-8,10,15H2,1-2H3,(H,16,17)
InChIKeyXDBATBMZDRUMRV-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.95
Rot. Bonds8

About 2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(2,5-dimethylphenyl)acetamide

2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 82181054) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(2,5-dimethylphenyl)acetamide
PubChem CID82181054
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CSCCOCCN)c1
InChIInChI=1S/C14H22N2O2S/c1-11-3-4-12(2)13(9-11)16-14(17)10-19-8-7-18-6-5-15/h3-4,9H,5-8,10,15H2,1-2H3,(H,16,17)
InChIKeyXDBATBMZDRUMRV-UHFFFAOYSA-N
XLogP1.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-benzhydryloxyethylsulfanyl)-N-(2,5-dimethylphenyl)acetamide
CID 22830724
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 8712604
2-amino-3-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 43385259
2-[(4-chlorophenyl)methylsulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 846748
2-(3-aminopropylsulfanyl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 66216831
2-(2-aminoethylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 43249692
2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(3-chlorophenyl)acetamide
CID 82181058
2-(2-aminoethoxy)-N-(2-fluoro-5-methylphenyl)acetamide
CID 79464256
N-(2,5-dimethylphenyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 26500071
2-(2-amino-4-methylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 43302578
methyl 2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-5-methylbenzoate
CID 43623717
methyl 3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylpropanoate
CID 8785524

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(2,5-dimethylphenyl)acetamide (CID 82181054) is 2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)CSCCOCCN)c1.
What is the InChIKey of 2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is XDBATBMZDRUMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11-3-4-12(2)13(9-11)16-14(17)10-19-8-7-18-6-5-15/h3-4,9H,5-8,10,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(2,5-dimethylphenyl)acetamide?
2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 282.41 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 82181054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).