4-(diethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)benzamide

C18H30N4O3S — CID 119392771

IUPAC4-(diethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCCCN2CCNCC2)cc1
InChIInChI=1S/C18H30N4O3S/c1-3-22(4-2)26(24,25)17-8-6-16(7-9-17)18(23)20-10-5-13-21-14-11-19-12-15-21/h6-9,19H,3-5,10-15H2,1-2H3,(H,20,23)
InChIKeyBXDSVEHWXIDMIW-UHFFFAOYSA-N
MW382.53 g/mol
LogP0.74
Rot. Bonds9

About 4-(diethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)benzamide

4-(diethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)benzamide (PubChem CID 119392771) has the molecular formula C18H30N4O3S and a molecular weight of 382.53 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)benzamide
PubChem CID119392771
Molecular FormulaC18H30N4O3S
Molecular Weight382.53 g/mol
Exact Mass382.20
IUPAC Name4-(diethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCCCN2CCNCC2)cc1
InChIInChI=1S/C18H30N4O3S/c1-3-22(4-2)26(24,25)17-8-6-16(7-9-17)18(23)20-10-5-13-21-14-11-19-12-15-21/h6-9,19H,3-5,10-15H2,1-2H3,(H,20,23)
InChIKeyBXDSVEHWXIDMIW-UHFFFAOYSA-N
XLogP0.74
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[methyl(propan-2-yl)sulfamoyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119394399
4-[ethyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119390940
4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393714
4-[methyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 119394671
4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390747
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-4-(diethylsulfamoyl)benzamide
CID 29195584
4-(dimethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656823
3-(methanesulfonamido)-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392350
4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(2-piperazin-1-ylethyl)benzamide
CID 119448151
N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119390904
4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392575

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)benzamide (CID 119392771) is 4-(diethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCCN2CCNCC2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)benzamide?
The InChIKey is BXDSVEHWXIDMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3S/c1-3-22(4-2)26(24,25)17-8-6-16(7-9-17)18(23)20-10-5-13-21-14-11-19-12-15-21/h6-9,19H,3-5,10-15H2,1-2H3,(H,20,23).
What are the key properties of 4-(diethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)benzamide?
4-(diethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)benzamide has a molecular weight of 382.53 g/mol, XLogP of 0.74, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 119392771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).