4-(diethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide

C24H34N4O5S2 — CID 42175284

IUPAC4-(diethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCCCS(=O)(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C24H34N4O5S2/c1-3-27(4-2)35(32,33)23-13-11-21(12-14-23)24(29)25-15-8-20-34(30,31)28-18-16-26(17-19-28)22-9-6-5-7-10-22/h5-7,9-14H,3-4,8,15-20H2,1-2H3,(H,25,29)
InChIKeyZSGYAIWDIKCECU-UHFFFAOYSA-N
MW522.69 g/mol
LogP1.99
Rot. Bonds11

About 4-(diethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide

4-(diethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide (PubChem CID 42175284) has the molecular formula C24H34N4O5S2 and a molecular weight of 522.69 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
PubChem CID42175284
Molecular FormulaC24H34N4O5S2
Molecular Weight522.69 g/mol
Exact Mass522.20
IUPAC Name4-(diethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCCCS(=O)(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C24H34N4O5S2/c1-3-27(4-2)35(32,33)23-13-11-21(12-14-23)24(29)25-15-8-20-34(30,31)28-18-16-26(17-19-28)22-9-6-5-7-10-22/h5-7,9-14H,3-4,8,15-20H2,1-2H3,(H,25,29)
InChIKeyZSGYAIWDIKCECU-UHFFFAOYSA-N
XLogP1.99
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.69
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175227
N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42175183
3-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175324
3-methoxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175212
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-4-(diethylsulfamoyl)benzamide
CID 29195584
4-tert-butyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]benzamide
CID 42175781
4-(diethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392771
2-(4-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175274
2-oxo-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]-1H-pyridine-3-carboxamide
CID 42175326
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,4-dimethylbenzamide
CID 42175355
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]-4-phenylbenzamide
CID 41349940
2-naphthalen-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175277

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide (CID 42175284) is 4-(diethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCCS(=O)(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide?
The InChIKey is ZSGYAIWDIKCECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O5S2/c1-3-27(4-2)35(32,33)23-13-11-21(12-14-23)24(29)25-15-8-20-34(30,31)28-18-16-26(17-19-28)22-9-6-5-7-10-22/h5-7,9-14H,3-4,8,15-20H2,1-2H3,(H,25,29).
What are the key properties of 4-(diethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide?
4-(diethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide has a molecular weight of 522.69 g/mol, XLogP of 1.99, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide is sourced from PubChem (CID 42175284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).