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

C23H32N4O3S — CID 46426506

IUPAC3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCCCN2CCN(c3ccccc3)CC2)cc(C)c1C
InChIInChI=1S/C23H32N4O3S/c1-18-16-20(17-22(19(18)2)31(29,30)24-3)23(28)25-10-7-11-26-12-14-27(15-13-26)21-8-5-4-6-9-21/h4-6,8-9,16-17,24H,7,10-15H2,1-3H3,(H,25,28)
InChIKeyPUMLLIVXSLQJAF-UHFFFAOYSA-N
MW444.60 g/mol
LogP2.15
Rot. Bonds8

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

3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide (PubChem CID 46426506) has the molecular formula C23H32N4O3S and a molecular weight of 444.60 g/mol. Its IUPAC name is 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
PubChem CID46426506
Molecular FormulaC23H32N4O3S
Molecular Weight444.60 g/mol
Exact Mass444.22
IUPAC Name3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCCCN2CCN(c3ccccc3)CC2)cc(C)c1C
InChIInChI=1S/C23H32N4O3S/c1-18-16-20(17-22(19(18)2)31(29,30)24-3)23(28)25-10-7-11-26-12-14-27(15-13-26)21-8-5-4-6-9-21/h4-6,8-9,16-17,24H,7,10-15H2,1-3H3,(H,25,28)
InChIKeyPUMLLIVXSLQJAF-UHFFFAOYSA-N
XLogP2.15
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 52.15
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-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-(methylsulfamoyl)benzamide
CID 46402933
3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55860989
2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224502
2-methyl-5-methylsulfonyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55931172
N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
CID 43071347
3,4-dimethyl-5-(methylsulfamoyl)-N-pentylbenzamide
CID 17476236
3,4,5-triethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224516
3-(ethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 33134557
3-(dimethylsulfamoyl)-4-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 55638847
3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224538
4-(methoxymethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 38448613
3-(benzylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 33139651

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide (CID 46426506) is 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide is CNS(=O)(=O)c1cc(C(=O)NCCCN2CCN(c3ccccc3)CC2)cc(C)c1C.
What is the InChIKey of 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The InChIKey is PUMLLIVXSLQJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3S/c1-18-16-20(17-22(19(18)2)31(29,30)24-3)23(28)25-10-7-11-26-12-14-27(15-13-26)21-8-5-4-6-9-21/h4-6,8-9,16-17,24H,7,10-15H2,1-3H3,(H,25,28).
What are the key properties of 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide has a molecular weight of 444.60 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 46426506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).