N-(2-methoxyethyl)-2-methylsulfanylbenzamide

C11H15NO2S — CID 5090487

IUPACN-(2-methoxyethyl)-2-methylsulfanylbenzamide
SMILESCOCCNC(=O)c1ccccc1SC
InChIInChI=1S/C11H15NO2S/c1-14-8-7-12-11(13)9-5-3-4-6-10(9)15-2/h3-6H,7-8H2,1-2H3,(H,12,13)
InChIKeyUJXBJSXRVVACRT-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.78
Rot. Bonds5

About N-(2-methoxyethyl)-2-methylsulfanylbenzamide

N-(2-methoxyethyl)-2-methylsulfanylbenzamide (PubChem CID 5090487) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methylsulfanylbenzamide
PubChem CID5090487
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN-(2-methoxyethyl)-2-methylsulfanylbenzamide
SMILESCOCCNC(=O)c1ccccc1SC
InChIInChI=1S/C11H15NO2S/c1-14-8-7-12-11(13)9-5-3-4-6-10(9)15-2/h3-6H,7-8H2,1-2H3,(H,12,13)
InChIKeyUJXBJSXRVVACRT-UHFFFAOYSA-N
XLogP1.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.78
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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Related Compounds

2-methylsulfanyl-N-(2-phenoxyethyl)benzamide
CID 26903219
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
N-butyl-2-methylsulfanylbenzamide
CID 59510338
N-[2-(1-adamantyloxy)ethyl]-2-methylsulfanylbenzamide
CID 3767855
N-(2-tert-butylsulfanylethyl)-2-methylsulfanylbenzamide
CID 2224882
N-(4-cyanobutyl)-2-methylsulfanylbenzamide
CID 78929278
N-benzyl-2-methylsulfanylbenzamide
CID 966900
N-(5-hydroxy-4-methylpentyl)-2-methylsulfanylbenzamide
CID 103861423
N-(2-aminopropyl)-2-methylsulfanylbenzamide
CID 79218118
N-(2-cyclopentylsulfanylethyl)-2-methylsulfanylbenzamide
CID 94101618
N-[(2R)-1-aminopropan-2-yl]-2-methylsulfanylbenzamide
CID 104873008
N-[2-(methylamino)propyl]-2-methylsulfanylbenzamide;hydrochloride
CID 120831488

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(2-methoxyethyl)-2-methylsulfanylbenzamide (CID 5090487) is N-(2-methoxyethyl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(2-methoxyethyl)-2-methylsulfanylbenzamide is COCCNC(=O)c1ccccc1SC.
What is the InChIKey of N-(2-methoxyethyl)-2-methylsulfanylbenzamide?
The InChIKey is UJXBJSXRVVACRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-14-8-7-12-11(13)9-5-3-4-6-10(9)15-2/h3-6H,7-8H2,1-2H3,(H,12,13).
What are the key properties of N-(2-methoxyethyl)-2-methylsulfanylbenzamide?
N-(2-methoxyethyl)-2-methylsulfanylbenzamide has a molecular weight of 225.31 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 5090487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).