3-(ethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide

C22H30N4O3S — CID 33134557

IUPAC3-(ethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)NCCCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C22H30N4O3S/c1-2-24-30(28,29)21-11-6-8-19(18-21)22(27)23-12-7-13-25-14-16-26(17-15-25)20-9-4-3-5-10-20/h3-6,8-11,18,24H,2,7,12-17H2,1H3,(H,23,27)
InChIKeyOHEAGJVZSJTWRS-UHFFFAOYSA-N
MW430.57 g/mol
LogP1.93
Rot. Bonds9

About 3-(ethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide

3-(ethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide (PubChem CID 33134557) has the molecular formula C22H30N4O3S and a molecular weight of 430.57 g/mol. Its IUPAC name is 3-(ethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-(ethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
PubChem CID33134557
Molecular FormulaC22H30N4O3S
Molecular Weight430.57 g/mol
Exact Mass430.20
IUPAC Name3-(ethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)NCCCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C22H30N4O3S/c1-2-24-30(28,29)21-11-6-8-19(18-21)22(27)23-12-7-13-25-14-16-26(17-15-25)20-9-4-3-5-10-20/h3-6,8-11,18,24H,2,7,12-17H2,1H3,(H,23,27)
InChIKeyOHEAGJVZSJTWRS-UHFFFAOYSA-N
XLogP1.93
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 51.93
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-(benzylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 33139651
3-(ethylsulfamoyl)-N-hexylbenzamide
CID 46538065
3-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 42389147
3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55860989
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-(ethylsulfamoyl)benzamide
CID 55660382
N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
CID 43071347
3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224538
N-[3-(4-phenylpiperazin-1-yl)propyl]-3-(tetrazol-1-yl)benzamide
CID 33134269
3,4,5-triethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224516
3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 46426506
4-(methoxymethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 38448613
3-(ethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 55462512

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of 3-(ethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide (CID 33134557) is 3-(ethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for 3-(ethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for 3-(ethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide is CCNS(=O)(=O)c1cccc(C(=O)NCCCN2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 3-(ethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The InChIKey is OHEAGJVZSJTWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S/c1-2-24-30(28,29)21-11-6-8-19(18-21)22(27)23-12-7-13-25-14-16-26(17-15-25)20-9-4-3-5-10-20/h3-6,8-11,18,24H,2,7,12-17H2,1H3,(H,23,27).
What are the key properties of 3-(ethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
3-(ethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide has a molecular weight of 430.57 g/mol, XLogP of 1.93, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 33134557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).