N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylacetamide

C12H17NO2S — CID 2272037

IUPACN-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCOCCNC(=O)CSc1ccc(C)cc1
InChIInChI=1S/C12H17NO2S/c1-10-3-5-11(6-4-10)16-9-12(14)13-7-8-15-2/h3-6H,7-9H2,1-2H3,(H,13,14)
InChIKeyYVJXJLSPJIOMMC-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.85
Rot. Bonds6

About N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylacetamide

N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 2272037) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylacetamide
PubChem CID2272037
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCOCCNC(=O)CSc1ccc(C)cc1
InChIInChI=1S/C12H17NO2S/c1-10-3-5-11(6-4-10)16-9-12(14)13-7-8-15-2/h3-6H,7-9H2,1-2H3,(H,13,14)
InChIKeyYVJXJLSPJIOMMC-UHFFFAOYSA-N
XLogP1.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylacetamide (CID 2272037) is N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylacetamide is COCCNC(=O)CSc1ccc(C)cc1.
What is the InChIKey of N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is YVJXJLSPJIOMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-10-3-5-11(6-4-10)16-9-12(14)13-7-8-15-2/h3-6H,7-9H2,1-2H3,(H,13,14).
What are the key properties of N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylacetamide?
N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 239.34 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 2272037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).