4-[[ethylsulfonyl(methyl)amino]methyl]-N-methylbenzamide

C12H18N2O3S — CID 47371529

IUPAC4-[[ethylsulfonyl(methyl)amino]methyl]-N-methylbenzamide
SMILESCCS(=O)(=O)N(C)Cc1ccc(C(=O)NC)cc1
InChIInChI=1S/C12H18N2O3S/c1-4-18(16,17)14(3)9-10-5-7-11(8-6-10)12(15)13-2/h5-8H,4,9H2,1-3H3,(H,13,15)
InChIKeyJIGHCLMJDBLGRO-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.83
Rot. Bonds5

About 4-[[ethylsulfonyl(methyl)amino]methyl]-N-methylbenzamide

4-[[ethylsulfonyl(methyl)amino]methyl]-N-methylbenzamide (PubChem CID 47371529) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-[[ethylsulfonyl(methyl)amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[ethylsulfonyl(methyl)amino]methyl]-N-methylbenzamide
PubChem CID47371529
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-[[ethylsulfonyl(methyl)amino]methyl]-N-methylbenzamide
SMILESCCS(=O)(=O)N(C)Cc1ccc(C(=O)NC)cc1
InChIInChI=1S/C12H18N2O3S/c1-4-18(16,17)14(3)9-10-5-7-11(8-6-10)12(15)13-2/h5-8H,4,9H2,1-3H3,(H,13,15)
InChIKeyJIGHCLMJDBLGRO-UHFFFAOYSA-N
XLogP0.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[[methyl(sulfamoyl)amino]methyl]benzamide
CID 112684258
4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 26541994
4-[[4-(dimethylamino)phenyl]methyl-methylsulfamoyl]-N-methylbenzamide
CID 24525671
4-[[azepan-1-ylsulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 24622173
N-methyl-4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide
CID 26542056
4-[[(2,4-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
CID 26542020
4-[[(2-methoxyphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
CID 51249500
N-methyl-4-[[methyl-(4-nitrophenyl)sulfonylamino]methyl]benzamide
CID 26541991
4-[[(2,5-dichlorophenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
CID 26542014
N-methyl-4-[[methyl-[(2R,3S)-3-methylsulfonylbutan-2-yl]amino]methyl]benzamide
CID 95625981
4-[[[2-(dipropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9125581
N-methyl-4-[[methyl-(2-nitrophenyl)sulfonylamino]methyl]benzamide
CID 26541999

Frequently Asked Questions

What is the IUPAC name of 4-[[ethylsulfonyl(methyl)amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[ethylsulfonyl(methyl)amino]methyl]-N-methylbenzamide (CID 47371529) is 4-[[ethylsulfonyl(methyl)amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[ethylsulfonyl(methyl)amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[ethylsulfonyl(methyl)amino]methyl]-N-methylbenzamide is CCS(=O)(=O)N(C)Cc1ccc(C(=O)NC)cc1.
What is the InChIKey of 4-[[ethylsulfonyl(methyl)amino]methyl]-N-methylbenzamide?
The InChIKey is JIGHCLMJDBLGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-4-18(16,17)14(3)9-10-5-7-11(8-6-10)12(15)13-2/h5-8H,4,9H2,1-3H3,(H,13,15).
What are the key properties of 4-[[ethylsulfonyl(methyl)amino]methyl]-N-methylbenzamide?
4-[[ethylsulfonyl(methyl)amino]methyl]-N-methylbenzamide has a molecular weight of 270.35 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethylsulfonyl(methyl)amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 47371529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).