2-ethylsulfonyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide

C13H19NO4S — CID 104553452

IUPAC2-ethylsulfonyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)N(C)C(C)CO
InChIInChI=1S/C13H19NO4S/c1-4-19(17,18)12-8-6-5-7-11(12)13(16)14(3)10(2)9-15/h5-8,10,15H,4,9H2,1-3H3
InChIKeyXETXLXZPLWCDLW-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.93
Rot. Bonds5

About 2-ethylsulfonyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide

2-ethylsulfonyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide (PubChem CID 104553452) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
PubChem CID104553452
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name2-ethylsulfonyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)N(C)C(C)CO
InChIInChI=1S/C13H19NO4S/c1-4-19(17,18)12-8-6-5-7-11(12)13(16)14(3)10(2)9-15/h5-8,10,15H,4,9H2,1-3H3
InChIKeyXETXLXZPLWCDLW-UHFFFAOYSA-N
XLogP0.93
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethylsulfonyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-hydroxypropan-2-yl(methyl)carbamoyl]benzoic acid
CID 50877497
N-butan-2-yl-N-methyl-2-sulfamoylbenzamide
CID 43273244
N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide
CID 104552913
2-ethylsulfonyl-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107202478
3-chloro-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115869389
1-(2-ethylsulfonylphenyl)ethanone
CID 118020273
2-ethylsulfonylbenzoyl chloride
CID 18978016
(2R)-2-[(2-ethylsulfonylbenzoyl)amino]propanoic acid
CID 54991408
N-ethyl-2-ethylsulfonyl-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79377923
2-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide
CID 115869357
2-ethylsulfonyl-N,N-bis(2-methoxyethyl)benzamide
CID 55435906
2-ethylsulfonyl-N-(1-hydroxybutan-2-yl)benzamide
CID 43393208

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
The IUPAC name of 2-ethylsulfonyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide (CID 104553452) is 2-ethylsulfonyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide.
What is the SMILES notation for 2-ethylsulfonyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
The canonical SMILES for 2-ethylsulfonyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide is CCS(=O)(=O)c1ccccc1C(=O)N(C)C(C)CO.
What is the InChIKey of 2-ethylsulfonyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
The InChIKey is XETXLXZPLWCDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-4-19(17,18)12-8-6-5-7-11(12)13(16)14(3)10(2)9-15/h5-8,10,15H,4,9H2,1-3H3.
What are the key properties of 2-ethylsulfonyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
2-ethylsulfonyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide has a molecular weight of 285.37 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 104553452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).