4-(dimethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide

C18H30N4O3S — CID 55656823

IUPAC4-(dimethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
SMILESCN1CCN(CCCCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1
InChIInChI=1S/C18H30N4O3S/c1-20(2)26(24,25)17-8-6-16(7-9-17)18(23)19-10-4-5-11-22-14-12-21(3)13-15-22/h6-9H,4-5,10-15H2,1-3H3,(H,19,23)
InChIKeyPHWJKMSTYXHALJ-UHFFFAOYSA-N
MW382.53 g/mol
LogP0.69
Rot. Bonds8

About 4-(dimethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide

4-(dimethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide (PubChem CID 55656823) has the molecular formula C18H30N4O3S and a molecular weight of 382.53 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
PubChem CID55656823
Molecular FormulaC18H30N4O3S
Molecular Weight382.53 g/mol
Exact Mass382.20
IUPAC Name4-(dimethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
SMILESCN1CCN(CCCCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1
InChIInChI=1S/C18H30N4O3S/c1-20(2)26(24,25)17-8-6-16(7-9-17)18(23)19-10-4-5-11-22-14-12-21(3)13-15-22/h6-9H,4-5,10-15H2,1-3H3,(H,19,23)
InChIKeyPHWJKMSTYXHALJ-UHFFFAOYSA-N
XLogP0.69
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)butyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55656712
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(dimethylsulfamoyl)benzamide
CID 55782424
4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656660
4-(dimethylsulfamoyl)-N-(4-methoxybutyl)benzamide
CID 110417973
N-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide
CID 59186291
4-[methyl(propan-2-yl)sulfamoyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119394399
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 55660302
3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 43020134
4-(diethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392771
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656593
3,4-diamino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 18999787
4-(dimethylsulfamoyl)-N-(2-pyrrol-1-ylethyl)benzamide
CID 110716261

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide (CID 55656823) is 4-(dimethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide is CN1CCN(CCCCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide?
The InChIKey is PHWJKMSTYXHALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3S/c1-20(2)26(24,25)17-8-6-16(7-9-17)18(23)19-10-4-5-11-22-14-12-21(3)13-15-22/h6-9H,4-5,10-15H2,1-3H3,(H,19,23).
What are the key properties of 4-(dimethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide?
4-(dimethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide has a molecular weight of 382.53 g/mol, XLogP of 0.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide is sourced from PubChem (CID 55656823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).