3,4-dimethyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-(methylsulfamoyl)benzamide

C24H34N4O3S — CID 46402933

IUPAC3,4-dimethyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCCCN2CCN(c3cccc(C)c3)CC2)cc(C)c1C
InChIInChI=1S/C24H34N4O3S/c1-18-7-5-8-22(15-18)28-13-11-27(12-14-28)10-6-9-26-24(29)21-16-19(2)20(3)23(17-21)32(30,31)25-4/h5,7-8,15-17,25H,6,9-14H2,1-4H3,(H,26,29)
InChIKeyAAVXICLQXNBDBC-UHFFFAOYSA-N
MW458.63 g/mol
LogP2.46
Rot. Bonds8

About 3,4-dimethyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-(methylsulfamoyl)benzamide

3,4-dimethyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-(methylsulfamoyl)benzamide (PubChem CID 46402933) has the molecular formula C24H34N4O3S and a molecular weight of 458.63 g/mol. Its IUPAC name is 3,4-dimethyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-(methylsulfamoyl)benzamide
PubChem CID46402933
Molecular FormulaC24H34N4O3S
Molecular Weight458.63 g/mol
Exact Mass458.24
IUPAC Name3,4-dimethyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCCCN2CCN(c3cccc(C)c3)CC2)cc(C)c1C
InChIInChI=1S/C24H34N4O3S/c1-18-7-5-8-22(15-18)28-13-11-27(12-14-28)10-6-9-26-24(29)21-16-19(2)20(3)23(17-21)32(30,31)25-4/h5,7-8,15-17,25H,6,9-14H2,1-4H3,(H,26,29)
InChIKeyAAVXICLQXNBDBC-UHFFFAOYSA-N
XLogP2.46
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.63
LogP ≤ 52.46
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

3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 46426506
2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 86981700
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-4-pyrrol-1-ylbenzamide
CID 46447895
4-(butan-2-ylsulfamoyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 55624611
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-methylsulfonylbenzamide
CID 46462236
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
N-[3-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 38440723
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 55624572
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 55760895
2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224502
3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55860989

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-(methylsulfamoyl)benzamide?
The IUPAC name of 3,4-dimethyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-(methylsulfamoyl)benzamide (CID 46402933) is 3,4-dimethyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-(methylsulfamoyl)benzamide?
The canonical SMILES for 3,4-dimethyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(C(=O)NCCCN2CCN(c3cccc(C)c3)CC2)cc(C)c1C.
What is the InChIKey of 3,4-dimethyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-(methylsulfamoyl)benzamide?
The InChIKey is AAVXICLQXNBDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3S/c1-18-7-5-8-22(15-18)28-13-11-27(12-14-28)10-6-9-26-24(29)21-16-19(2)20(3)23(17-21)32(30,31)25-4/h5,7-8,15-17,25H,6,9-14H2,1-4H3,(H,26,29).
What are the key properties of 3,4-dimethyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-(methylsulfamoyl)benzamide?
3,4-dimethyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-(methylsulfamoyl)benzamide has a molecular weight of 458.63 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 46402933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).