4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide

C18H22N2O4S — CID 109059730

IUPAC4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C18H22N2O4S/c1-13-5-4-6-14(2)17(13)20-25(22,23)16-9-7-15(8-10-16)18(21)19-11-12-24-3/h4-10,20H,11-12H2,1-3H3,(H,19,21)
InChIKeyKSZJBRLNZYWVQK-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.48
Rot. Bonds7

About 4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide

4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide (PubChem CID 109059730) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
PubChem CID109059730
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C18H22N2O4S/c1-13-5-4-6-14(2)17(13)20-25(22,23)16-9-7-15(8-10-16)18(21)19-11-12-24-3/h4-10,20H,11-12H2,1-3H3,(H,19,21)
InChIKeyKSZJBRLNZYWVQK-UHFFFAOYSA-N
XLogP2.48
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26500843
N-(2-methoxyethyl)-3-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109063672
N-cyclopropyl-4-[(2,6-dimethylphenyl)sulfamoyl]benzamide
CID 109058325
N-butyl-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 9414249
3-[(4-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 18161967
N-[2-(dimethylamino)ethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 109060082
2,5-difluoro-4-[[4-(2-methoxyethylcarbamoyl)phenyl]sulfonylamino]benzoic acid
CID 130296884
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide
CID 37148868
N-[2-(4-methoxyphenyl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 27548689
4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide
CID 109061758
5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119234754
ethyl 4-[[2-(2-methoxyethylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 31754196

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide (CID 109059730) is 4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of 4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide?
The InChIKey is KSZJBRLNZYWVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-13-5-4-6-14(2)17(13)20-25(22,23)16-9-7-15(8-10-16)18(21)19-11-12-24-3/h4-10,20H,11-12H2,1-3H3,(H,19,21).
What are the key properties of 4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide?
4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide has a molecular weight of 362.45 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 109059730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).