N-methyl-4-(1-methylsulfanylethyl)benzamide

C11H15NOS — CID 59428965

IUPACN-methyl-4-(1-methylsulfanylethyl)benzamide
SMILESCNC(=O)c1ccc(C(C)SC)cc1
InChIInChI=1S/C11H15NOS/c1-8(14-3)9-4-6-10(7-5-9)11(13)12-2/h4-8H,1-3H3,(H,12,13)
InChIKeyXHYTXUVDFCQFOT-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.47
Rot. Bonds3

About N-methyl-4-(1-methylsulfanylethyl)benzamide

N-methyl-4-(1-methylsulfanylethyl)benzamide (PubChem CID 59428965) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is N-methyl-4-(1-methylsulfanylethyl)benzamide.

Molecular Properties

Compound NameN-methyl-4-(1-methylsulfanylethyl)benzamide
PubChem CID59428965
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC NameN-methyl-4-(1-methylsulfanylethyl)benzamide
SMILESCNC(=O)c1ccc(C(C)SC)cc1
InChIInChI=1S/C11H15NOS/c1-8(14-3)9-4-6-10(7-5-9)11(13)12-2/h4-8H,1-3H3,(H,12,13)
InChIKeyXHYTXUVDFCQFOT-UHFFFAOYSA-N
XLogP2.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1R)-1-(dimethylamino)-2-methylpropyl]-N-methylbenzamide
CID 118928753
3-fluoro-N-methyl-4-methylsulfanylbenzamide
CID 149067923
ethane;N-methylbenzamide;2-methylpropane
CID 161462553
1-N-methyl-4-N,4-N-di(propan-2-yl)benzene-1,4-dicarboxamide
CID 793999
ethyl 2,3-dihydroxy-3-[4-(methylcarbamoyl)phenyl]propanoate
CID 171866592
4-[(1R,2R)-1-(dimethylamino)-2,3,3-trimethylbutyl]-N-methylbenzamide
CID 130470007
N-methyl-4-prop-1-ynylbenzamide
CID 126551972
N-methylbenzamide
CID 11954
4-[3-amino-1-(4-fluorophenyl)propyl]-N-methylbenzamide
CID 69116094
1-N,4-N-dimethylbenzene-1,4-dicarboxamide;dimethyl benzene-1,4-dicarboxylate
CID 158994697
4-(4-amino-1,2-dihydroxy-4-oxobutyl)-N-methylbenzamide
CID 171899667
N-methyl-4-(4-pentan-3-ylphenoxy)benzamide
CID 142415379

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1-methylsulfanylethyl)benzamide?
The IUPAC name of N-methyl-4-(1-methylsulfanylethyl)benzamide (CID 59428965) is N-methyl-4-(1-methylsulfanylethyl)benzamide.
What is the SMILES notation for N-methyl-4-(1-methylsulfanylethyl)benzamide?
The canonical SMILES for N-methyl-4-(1-methylsulfanylethyl)benzamide is CNC(=O)c1ccc(C(C)SC)cc1.
What is the InChIKey of N-methyl-4-(1-methylsulfanylethyl)benzamide?
The InChIKey is XHYTXUVDFCQFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-8(14-3)9-4-6-10(7-5-9)11(13)12-2/h4-8H,1-3H3,(H,12,13).
What are the key properties of N-methyl-4-(1-methylsulfanylethyl)benzamide?
N-methyl-4-(1-methylsulfanylethyl)benzamide has a molecular weight of 209.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1-methylsulfanylethyl)benzamide is sourced from PubChem (CID 59428965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).