N-methoxy-N-methyl-3-(methylsulfanylmethyl)benzamide

C11H15NO2S — CID 60717294

IUPACN-methoxy-N-methyl-3-(methylsulfanylmethyl)benzamide
SMILESCON(C)C(=O)c1cccc(CSC)c1
InChIInChI=1S/C11H15NO2S/c1-12(14-2)11(13)10-6-4-5-9(7-10)8-15-3/h4-7H,8H2,1-3H3
InChIKeyPWSLKMCUIDEZFS-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.18
Rot. Bonds4

About N-methoxy-N-methyl-3-(methylsulfanylmethyl)benzamide

N-methoxy-N-methyl-3-(methylsulfanylmethyl)benzamide (PubChem CID 60717294) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-methoxy-N-methyl-3-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-3-(methylsulfanylmethyl)benzamide
PubChem CID60717294
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN-methoxy-N-methyl-3-(methylsulfanylmethyl)benzamide
SMILESCON(C)C(=O)c1cccc(CSC)c1
InChIInChI=1S/C11H15NO2S/c1-12(14-2)11(13)10-6-4-5-9(7-10)8-15-3/h4-7H,8H2,1-3H3
InChIKeyPWSLKMCUIDEZFS-UHFFFAOYSA-N
XLogP2.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(methylsulfanylmethyl)benzoate
CID 7129113
2-[ethyl-[3-(methylsulfanylmethyl)benzoyl]amino]acetic acid
CID 54901480
N-ethyl-3-(methylsulfanylmethyl)benzamide
CID 60667675
N-(2-hydroxyethyl)-3-(methylsulfanylmethyl)-N-propylbenzamide
CID 60682129
3-benzoyl-N-methoxy-N-methylbenzamide
CID 86595919
CID 87529110
CID 87529110
N-methoxy-N-methyl-3-(trifluoromethylsulfanyl)benzamide
CID 58962540
3-(methylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483484
3-(benzylsulfamoyl)-N-methoxy-N-methylbenzamide
CID 17421800
N-methoxy-N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 60644798
3-(methylsulfanylmethyl)-N-prop-2-enylbenzamide
CID 60667719
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-(methylsulfanylmethyl)benzamide
CID 103712720

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-3-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-methoxy-N-methyl-3-(methylsulfanylmethyl)benzamide (CID 60717294) is N-methoxy-N-methyl-3-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-methoxy-N-methyl-3-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-methoxy-N-methyl-3-(methylsulfanylmethyl)benzamide is CON(C)C(=O)c1cccc(CSC)c1.
What is the InChIKey of N-methoxy-N-methyl-3-(methylsulfanylmethyl)benzamide?
The InChIKey is PWSLKMCUIDEZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-12(14-2)11(13)10-6-4-5-9(7-10)8-15-3/h4-7H,8H2,1-3H3.
What are the key properties of N-methoxy-N-methyl-3-(methylsulfanylmethyl)benzamide?
N-methoxy-N-methyl-3-(methylsulfanylmethyl)benzamide has a molecular weight of 225.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-3-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 60717294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).