N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide

C18H22N2O4S — CID 109063623

IUPACN-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide
SMILESCOCCNC(=O)c1cccc(S(=O)(=O)NCc2cccc(C)c2)c1
InChIInChI=1S/C18H22N2O4S/c1-14-5-3-6-15(11-14)13-20-25(22,23)17-8-4-7-16(12-17)18(21)19-9-10-24-2/h3-8,11-12,20H,9-10,13H2,1-2H3,(H,19,21)
InChIKeyBVGAGQDXXWJYNN-UHFFFAOYSA-N
MW362.45 g/mol
LogP1.85
Rot. Bonds8

About N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide

N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide (PubChem CID 109063623) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide
PubChem CID109063623
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide
SMILESCOCCNC(=O)c1cccc(S(=O)(=O)NCc2cccc(C)c2)c1
InChIInChI=1S/C18H22N2O4S/c1-14-5-3-6-15(11-14)13-20-25(22,23)17-8-4-7-16(12-17)18(21)19-9-10-24-2/h3-8,11-12,20H,9-10,13H2,1-2H3,(H,19,21)
InChIKeyBVGAGQDXXWJYNN-UHFFFAOYSA-N
XLogP1.85
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 51.85
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)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
N-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109064583
N-(2-methoxyethyl)-3-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 109063631
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
4-[(3-methylphenyl)methylsulfamoyl]-N-propylbenzamide
CID 109057844
N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119382099
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 26500853
1-N-(3-methoxypropyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052676
N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26500829
N-butan-2-yl-3-[[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]benzamide
CID 55749562
N-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565294
N-(2-methoxyethyl)-3-(phenylsulfamoyl)benzamide
CID 19257386

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide?
The IUPAC name of N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide (CID 109063623) is N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide is COCCNC(=O)c1cccc(S(=O)(=O)NCc2cccc(C)c2)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide?
The InChIKey is BVGAGQDXXWJYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-14-5-3-6-15(11-14)13-20-25(22,23)17-8-4-7-16(12-17)18(21)19-9-10-24-2/h3-8,11-12,20H,9-10,13H2,1-2H3,(H,19,21).
What are the key properties of N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide?
N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide has a molecular weight of 362.45 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide is sourced from PubChem (CID 109063623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).