N-(2-methoxyethyl)-2-methyl-5-sulfanylbenzamide

C11H15NO2S — CID 107019480

IUPACN-(2-methoxyethyl)-2-methyl-5-sulfanylbenzamide
SMILESCOCCNC(=O)c1cc(S)ccc1C
InChIInChI=1S/C11H15NO2S/c1-8-3-4-9(15)7-10(8)11(13)12-5-6-14-2/h3-4,7,15H,5-6H2,1-2H3,(H,12,13)
InChIKeyQAKGLGHHILQQJJ-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.66
Rot. Bonds4

About N-(2-methoxyethyl)-2-methyl-5-sulfanylbenzamide

N-(2-methoxyethyl)-2-methyl-5-sulfanylbenzamide (PubChem CID 107019480) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-5-sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-5-sulfanylbenzamide
PubChem CID107019480
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN-(2-methoxyethyl)-2-methyl-5-sulfanylbenzamide
SMILESCOCCNC(=O)c1cc(S)ccc1C
InChIInChI=1S/C11H15NO2S/c1-8-3-4-9(15)7-10(8)11(13)12-5-6-14-2/h3-4,7,15H,5-6H2,1-2H3,(H,12,13)
InChIKeyQAKGLGHHILQQJJ-UHFFFAOYSA-N
XLogP1.66
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyethyl)-2-methyl-5-sulfanylbenzamide
CID 107023284
N-[3-(dimethylamino)propyl]-2-methyl-5-sulfanylbenzamide
CID 107021313
N-(5-hydroxypentyl)-2-methyl-5-sulfanylbenzamide
CID 107323824
N-[3-(ethylamino)propyl]-2-methyl-5-sulfanylbenzamide
CID 107023995
N-[2-(3-methoxyphenyl)ethyl]-2-methyl-5-sulfanylbenzamide
CID 107854785
N-[2-(ethylamino)-2-oxoethyl]-2-methyl-5-sulfanylbenzamide
CID 107023107
2-methyl-N-(3-sulfamoylpropyl)-5-sulfanylbenzamide
CID 107027336
N-[2-(3,5-difluorophenyl)ethyl]-2-methyl-5-sulfanylbenzamide
CID 107028507
5-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 65311317
ethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide
CID 178149105
N-(3-hydroxy-2,2-dimethylpropyl)-2-methyl-5-sulfanylbenzamide
CID 107033291
N-[(2-fluorophenyl)methyl]-2-methyl-5-sulfanylbenzamide
CID 107021173

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-5-sulfanylbenzamide?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-5-sulfanylbenzamide (CID 107019480) is N-(2-methoxyethyl)-2-methyl-5-sulfanylbenzamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-5-sulfanylbenzamide?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-5-sulfanylbenzamide is COCCNC(=O)c1cc(S)ccc1C.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-5-sulfanylbenzamide?
The InChIKey is QAKGLGHHILQQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-8-3-4-9(15)7-10(8)11(13)12-5-6-14-2/h3-4,7,15H,5-6H2,1-2H3,(H,12,13).
What are the key properties of N-(2-methoxyethyl)-2-methyl-5-sulfanylbenzamide?
N-(2-methoxyethyl)-2-methyl-5-sulfanylbenzamide has a molecular weight of 225.31 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-5-sulfanylbenzamide is sourced from PubChem (CID 107019480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).