2-(2-methoxyethylamino)-N-[4-(methylsulfanylmethyl)phenyl]acetamide

C13H20N2O2S — CID 119769564

IUPAC2-(2-methoxyethylamino)-N-[4-(methylsulfanylmethyl)phenyl]acetamide
SMILESCOCCNCC(=O)Nc1ccc(CSC)cc1
InChIInChI=1S/C13H20N2O2S/c1-17-8-7-14-9-13(16)15-12-5-3-11(4-6-12)10-18-2/h3-6,14H,7-10H2,1-2H3,(H,15,16)
InChIKeyAUNKKURFBLTKDF-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.72
Rot. Bonds8

About 2-(2-methoxyethylamino)-N-[4-(methylsulfanylmethyl)phenyl]acetamide

2-(2-methoxyethylamino)-N-[4-(methylsulfanylmethyl)phenyl]acetamide (PubChem CID 119769564) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[4-(methylsulfanylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[4-(methylsulfanylmethyl)phenyl]acetamide
PubChem CID119769564
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-(2-methoxyethylamino)-N-[4-(methylsulfanylmethyl)phenyl]acetamide
SMILESCOCCNCC(=O)Nc1ccc(CSC)cc1
InChIInChI=1S/C13H20N2O2S/c1-17-8-7-14-9-13(16)15-12-5-3-11(4-6-12)10-18-2/h3-6,14H,7-10H2,1-2H3,(H,15,16)
InChIKeyAUNKKURFBLTKDF-UHFFFAOYSA-N
XLogP1.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.72
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

N-(4-iodophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819702
2-(2-methoxyethylamino)-N-(4-methoxyphenyl)acetamide
CID 28565585
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119669013
N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54819837
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(2-methoxyethylamino)acetamide
CID 119715536
2-(2-methoxyethylamino)-N-pyridin-4-ylacetamide;dihydrochloride
CID 119827132
N-[4-(ethylsulfonylamino)phenyl]-2-(2-methoxyethylamino)acetamide
CID 79272393
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819836
ethyl 4-[[2-(2-methoxyethylamino)acetyl]amino]benzoate;hydrochloride
CID 119672462
2-(2-methoxyethylamino)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide
CID 119715728
N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]azepane-1-carboxamide
CID 119761543
N-[4-(3,5-dimethylphenoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119741341

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[4-(methylsulfanylmethyl)phenyl]acetamide?
The IUPAC name of 2-(2-methoxyethylamino)-N-[4-(methylsulfanylmethyl)phenyl]acetamide (CID 119769564) is 2-(2-methoxyethylamino)-N-[4-(methylsulfanylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[4-(methylsulfanylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[4-(methylsulfanylmethyl)phenyl]acetamide is COCCNCC(=O)Nc1ccc(CSC)cc1.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[4-(methylsulfanylmethyl)phenyl]acetamide?
The InChIKey is AUNKKURFBLTKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-17-8-7-14-9-13(16)15-12-5-3-11(4-6-12)10-18-2/h3-6,14H,7-10H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-methoxyethylamino)-N-[4-(methylsulfanylmethyl)phenyl]acetamide?
2-(2-methoxyethylamino)-N-[4-(methylsulfanylmethyl)phenyl]acetamide has a molecular weight of 268.38 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[4-(methylsulfanylmethyl)phenyl]acetamide is sourced from PubChem (CID 119769564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).