4-(aminomethyl)-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]benzamide;hydrochloride

C18H25ClN4O4S — CID 119339072

IUPAC4-(aminomethyl)-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]benzamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(NCCOC)c(NC(=O)c2ccc(CN)cc2)c1.Cl
InChIInChI=1S/C18H24N4O4S.ClH/c1-20-27(24,25)15-7-8-16(21-9-10-26-2)17(11-15)22-18(23)14-5-3-13(12-19)4-6-14;/h3-8,11,20-21H,9-10,12,19H2,1-2H3,(H,22,23);1H
InChIKeyIGBOSSRZZTYDRD-UHFFFAOYSA-N
MW428.94 g/mol
LogP1.79
Rot. Bonds9

About 4-(aminomethyl)-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]benzamide;hydrochloride

4-(aminomethyl)-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]benzamide;hydrochloride (PubChem CID 119339072) has the molecular formula C18H25ClN4O4S and a molecular weight of 428.94 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]benzamide;hydrochloride
PubChem CID119339072
Molecular FormulaC18H25ClN4O4S
Molecular Weight428.94 g/mol
Exact Mass428.13
IUPAC Name4-(aminomethyl)-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]benzamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(NCCOC)c(NC(=O)c2ccc(CN)cc2)c1.Cl
InChIInChI=1S/C18H24N4O4S.ClH/c1-20-27(24,25)15-7-8-16(21-9-10-26-2)17(11-15)22-18(23)14-5-3-13(12-19)4-6-14;/h3-8,11,20-21H,9-10,12,19H2,1-2H3,(H,22,23);1H
InChIKeyIGBOSSRZZTYDRD-UHFFFAOYSA-N
XLogP1.79
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 51.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]-2-methylbutanamide
CID 120501906
N-(3-chloro-2-methylphenyl)-2-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)anilino]acetamide
CID 71849298
4-amino-3-[2-(2-methoxyethoxy)ethylamino]-N-methylbenzenesulfonamide
CID 82899707
N-[2-methoxy-5-(methylsulfamoyl)phenyl]-4-methylbenzamide
CID 6459882
4-amino-3-(3-methoxypropylamino)-N-methylbenzenesulfonamide
CID 82898084
N-(5-tert-butyl-2-methoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 24584207
4-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]benzamide
CID 119331638
3-amino-2-methoxy-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 106111402
N-(4-iodo-2-methylphenyl)-4-(methylsulfamoyl)benzamide
CID 55407314
3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzenesulfonamide
CID 62498772
4-(aminomethyl)-N-(2-bromo-4-nitrophenyl)benzamide
CID 43710479
3-amino-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide
CID 62843446

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]benzamide;hydrochloride (CID 119339072) is 4-(aminomethyl)-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]benzamide;hydrochloride is CNS(=O)(=O)c1ccc(NCCOC)c(NC(=O)c2ccc(CN)cc2)c1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]benzamide;hydrochloride?
The InChIKey is IGBOSSRZZTYDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S.ClH/c1-20-27(24,25)15-7-8-16(21-9-10-26-2)17(11-15)22-18(23)14-5-3-13(12-19)4-6-14;/h3-8,11,20-21H,9-10,12,19H2,1-2H3,(H,22,23);1H.
What are the key properties of 4-(aminomethyl)-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]benzamide;hydrochloride?
4-(aminomethyl)-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]benzamide;hydrochloride has a molecular weight of 428.94 g/mol, XLogP of 1.79, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]benzamide;hydrochloride is sourced from PubChem (CID 119339072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).