4-(butan-2-ylsulfamoyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide

C25H36N4O3S — CID 55624611

IUPAC4-(butan-2-ylsulfamoyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NCCCN2CCN(c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C25H36N4O3S/c1-4-21(3)27-33(31,32)24-11-9-22(10-12-24)25(30)26-13-6-14-28-15-17-29(18-16-28)23-8-5-7-20(2)19-23/h5,7-12,19,21,27H,4,6,13-18H2,1-3H3,(H,26,30)
InChIKeyZGROEOBVWMWKJG-UHFFFAOYSA-N
MW472.66 g/mol
LogP3.01
Rot. Bonds10

About 4-(butan-2-ylsulfamoyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide

4-(butan-2-ylsulfamoyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide (PubChem CID 55624611) has the molecular formula C25H36N4O3S and a molecular weight of 472.66 g/mol. Its IUPAC name is 4-(butan-2-ylsulfamoyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name4-(butan-2-ylsulfamoyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
PubChem CID55624611
Molecular FormulaC25H36N4O3S
Molecular Weight472.66 g/mol
Exact Mass472.25
IUPAC Name4-(butan-2-ylsulfamoyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NCCCN2CCN(c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C25H36N4O3S/c1-4-21(3)27-33(31,32)24-11-9-22(10-12-24)25(30)26-13-6-14-28-15-17-29(18-16-28)23-8-5-7-20(2)19-23/h5,7-12,19,21,27H,4,6,13-18H2,1-3H3,(H,26,30)
InChIKeyZGROEOBVWMWKJG-UHFFFAOYSA-N
XLogP3.01
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.66
LogP ≤ 53.01
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

N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-methylsulfonylbenzamide
CID 46462236
ethyl 4-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-ylsulfamoyl]benzoate
CID 55682051
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-4-pyrrol-1-ylbenzamide
CID 46447895
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-(phenylsulfamoyl)benzamide
CID 30900136
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 55760895
3,4-dimethyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-(methylsulfamoyl)benzamide
CID 46402933
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244
2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 38441075
4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885248
2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 86981700
3-[(4-fluorophenyl)sulfonylamino]-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 55662298
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1,2,5-thiadiazole-3-carboxamide
CID 87010293

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylsulfamoyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide?
The IUPAC name of 4-(butan-2-ylsulfamoyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide (CID 55624611) is 4-(butan-2-ylsulfamoyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide.
What is the SMILES notation for 4-(butan-2-ylsulfamoyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide?
The canonical SMILES for 4-(butan-2-ylsulfamoyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide is CCC(C)NS(=O)(=O)c1ccc(C(=O)NCCCN2CCN(c3cccc(C)c3)CC2)cc1.
What is the InChIKey of 4-(butan-2-ylsulfamoyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide?
The InChIKey is ZGROEOBVWMWKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O3S/c1-4-21(3)27-33(31,32)24-11-9-22(10-12-24)25(30)26-13-6-14-28-15-17-29(18-16-28)23-8-5-7-20(2)19-23/h5,7-12,19,21,27H,4,6,13-18H2,1-3H3,(H,26,30).
What are the key properties of 4-(butan-2-ylsulfamoyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide?
4-(butan-2-ylsulfamoyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide has a molecular weight of 472.66 g/mol, XLogP of 3.01, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylsulfamoyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide is sourced from PubChem (CID 55624611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).