3-[ethylsulfonyl(methyl)amino]-N-(2-methoxyethyl)benzamide

C13H20N2O4S — CID 100785734

IUPAC3-[ethylsulfonyl(methyl)amino]-N-(2-methoxyethyl)benzamide
SMILESCCS(=O)(=O)N(C)c1cccc(C(=O)NCCOC)c1
InChIInChI=1S/C13H20N2O4S/c1-4-20(17,18)15(2)12-7-5-6-11(10-12)13(16)14-8-9-19-3/h5-7,10H,4,8-9H2,1-3H3,(H,14,16)
InChIKeyOCFDXLYAWFMVHA-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.85
Rot. Bonds7

About 3-[ethylsulfonyl(methyl)amino]-N-(2-methoxyethyl)benzamide

3-[ethylsulfonyl(methyl)amino]-N-(2-methoxyethyl)benzamide (PubChem CID 100785734) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-[ethylsulfonyl(methyl)amino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-[ethylsulfonyl(methyl)amino]-N-(2-methoxyethyl)benzamide
PubChem CID100785734
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name3-[ethylsulfonyl(methyl)amino]-N-(2-methoxyethyl)benzamide
SMILESCCS(=O)(=O)N(C)c1cccc(C(=O)NCCOC)c1
InChIInChI=1S/C13H20N2O4S/c1-4-20(17,18)15(2)12-7-5-6-11(10-12)13(16)14-8-9-19-3/h5-7,10H,4,8-9H2,1-3H3,(H,14,16)
InChIKeyOCFDXLYAWFMVHA-UHFFFAOYSA-N
XLogP0.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[ethylsulfonyl(methyl)amino]-N-(2-methoxyethyl)benzamide 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

3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxyethyl)benzamide
CID 27659280
N-(3-bromophenyl)-3-[ethylsulfonyl(methyl)amino]benzamide
CID 100785831
N-benzhydryl-3-[ethylsulfonyl(methyl)amino]benzamide
CID 100786033
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487
3-[ethyl-(3-methylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109063706
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
3-[benzyl(phenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 35810494
N-(3-bromo-4-methoxybutyl)-3-(dimethylamino)benzamide
CID 106245278
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26500829
3-N-benzyl-1-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109052503
3-[methyl(methylsulfonyl)amino]-N-[(2R)-pentan-2-yl]benzamide
CID 95119363

Frequently Asked Questions

What is the IUPAC name of 3-[ethylsulfonyl(methyl)amino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-[ethylsulfonyl(methyl)amino]-N-(2-methoxyethyl)benzamide (CID 100785734) is 3-[ethylsulfonyl(methyl)amino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-[ethylsulfonyl(methyl)amino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-[ethylsulfonyl(methyl)amino]-N-(2-methoxyethyl)benzamide is CCS(=O)(=O)N(C)c1cccc(C(=O)NCCOC)c1.
What is the InChIKey of 3-[ethylsulfonyl(methyl)amino]-N-(2-methoxyethyl)benzamide?
The InChIKey is OCFDXLYAWFMVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-4-20(17,18)15(2)12-7-5-6-11(10-12)13(16)14-8-9-19-3/h5-7,10H,4,8-9H2,1-3H3,(H,14,16).
What are the key properties of 3-[ethylsulfonyl(methyl)amino]-N-(2-methoxyethyl)benzamide?
3-[ethylsulfonyl(methyl)amino]-N-(2-methoxyethyl)benzamide has a molecular weight of 300.38 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethylsulfonyl(methyl)amino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 100785734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).