5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride

C18H31ClN4O4S — CID 119390825

IUPAC5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
SMILESCOCCNS(=O)(=O)c1ccc(C)c(C(=O)NCCCN2CCNCC2)c1.Cl
InChIInChI=1S/C18H30N4O4S.ClH/c1-15-4-5-16(27(24,25)21-9-13-26-2)14-17(15)18(23)20-6-3-10-22-11-7-19-8-12-22;/h4-5,14,19,21H,3,6-13H2,1-2H3,(H,20,23);1H
InChIKeyWJMHPKWWKWIMPC-UHFFFAOYSA-N
MW434.99 g/mol
LogP0.37
Rot. Bonds10

About 5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride

5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride (PubChem CID 119390825) has the molecular formula C18H31ClN4O4S and a molecular weight of 434.99 g/mol. Its IUPAC name is 5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride.

Molecular Properties

Compound Name5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
PubChem CID119390825
Molecular FormulaC18H31ClN4O4S
Molecular Weight434.99 g/mol
Exact Mass434.18
IUPAC Name5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
SMILESCOCCNS(=O)(=O)c1ccc(C)c(C(=O)NCCCN2CCNCC2)c1.Cl
InChIInChI=1S/C18H30N4O4S.ClH/c1-15-4-5-16(27(24,25)21-9-13-26-2)14-17(15)18(23)20-6-3-10-22-11-7-19-8-12-22;/h4-5,14,19,21H,3,6-13H2,1-2H3,(H,20,23);1H
InChIKeyWJMHPKWWKWIMPC-UHFFFAOYSA-N
XLogP0.37
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.99
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride
CID 119994544
4-(2-methoxyethylsulfamoyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119446751
N-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 43002878
5-(2-methoxyethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide
CID 119500095
2-methyl-5-(methylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 55527296
3-fluoro-4-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43607069
4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656660
3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-N-(2-methoxyethyl)-4-methylbenzenesulfonamide
CID 120656528
5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide
CID 43002807
5-(benzylsulfamoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methylbenzamide
CID 55660200
2-bromo-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390862
methyl 3-(3-piperazin-1-ylpropylsulfamoyl)benzoate
CID 119994766

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The IUPAC name of 5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride (CID 119390825) is 5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride.
What is the SMILES notation for 5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The canonical SMILES for 5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride is COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCCCN2CCNCC2)c1.Cl.
What is the InChIKey of 5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The InChIKey is WJMHPKWWKWIMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O4S.ClH/c1-15-4-5-16(27(24,25)21-9-13-26-2)14-17(15)18(23)20-6-3-10-22-11-7-19-8-12-22;/h4-5,14,19,21H,3,6-13H2,1-2H3,(H,20,23);1H.
What are the key properties of 5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride has a molecular weight of 434.99 g/mol, XLogP of 0.37, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride is sourced from PubChem (CID 119390825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).