5-(benzylsulfamoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methylbenzamide

C24H34N4O3S — CID 55660200

IUPAC5-(benzylsulfamoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methylbenzamide
SMILESCCN1CCN(CCCNC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)CC1
InChIInChI=1S/C24H34N4O3S/c1-3-27-14-16-28(17-15-27)13-7-12-25-24(29)23-18-22(11-10-20(23)2)32(30,31)26-19-21-8-5-4-6-9-21/h4-6,8-11,18,26H,3,7,12-17,19H2,1-2H3,(H,25,29)
InChIKeyYPIQESMLWZTGHW-UHFFFAOYSA-N
MW458.63 g/mol
LogP2.23
Rot. Bonds10

About 5-(benzylsulfamoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methylbenzamide

5-(benzylsulfamoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methylbenzamide (PubChem CID 55660200) has the molecular formula C24H34N4O3S and a molecular weight of 458.63 g/mol. Its IUPAC name is 5-(benzylsulfamoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(benzylsulfamoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methylbenzamide
PubChem CID55660200
Molecular FormulaC24H34N4O3S
Molecular Weight458.63 g/mol
Exact Mass458.24
IUPAC Name5-(benzylsulfamoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methylbenzamide
SMILESCCN1CCN(CCCNC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)CC1
InChIInChI=1S/C24H34N4O3S/c1-3-27-14-16-28(17-15-27)13-7-12-25-24(29)23-18-22(11-10-20(23)2)32(30,31)26-19-21-8-5-4-6-9-21/h4-6,8-11,18,26H,3,7,12-17,19H2,1-2H3,(H,25,29)
InChIKeyYPIQESMLWZTGHW-UHFFFAOYSA-N
XLogP2.23
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.63
LogP ≤ 52.23
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

5-(benzylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119432113
5-(benzylsulfamoyl)-N-(2-hydroxyethyl)-2-methylbenzamide
CID 71903697
5-(benzylsulfamoyl)-2-methyl-N-prop-2-enylbenzamide
CID 35154379
5-amino-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methylbenzamide;trihydrochloride
CID 120647882
5-(benzylsulfamoyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide
CID 55948933
5-(benzylsulfamoyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51166535
2-methyl-5-methylsulfonyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55931172
5-(benzylsulfamoyl)-2-methyl-N-(2-methylbutan-2-yl)benzamide
CID 46554762
3-(benzylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 33139651
2-methyl-5-(methylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 55527296
5-(benzylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbenzamide
CID 33305075
5-(benzylsulfamoyl)-2-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 27859379

Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfamoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methylbenzamide?
The IUPAC name of 5-(benzylsulfamoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methylbenzamide (CID 55660200) is 5-(benzylsulfamoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methylbenzamide.
What is the SMILES notation for 5-(benzylsulfamoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methylbenzamide?
The canonical SMILES for 5-(benzylsulfamoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methylbenzamide is CCN1CCN(CCCNC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)CC1.
What is the InChIKey of 5-(benzylsulfamoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methylbenzamide?
The InChIKey is YPIQESMLWZTGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3S/c1-3-27-14-16-28(17-15-27)13-7-12-25-24(29)23-18-22(11-10-20(23)2)32(30,31)26-19-21-8-5-4-6-9-21/h4-6,8-11,18,26H,3,7,12-17,19H2,1-2H3,(H,25,29).
What are the key properties of 5-(benzylsulfamoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methylbenzamide?
5-(benzylsulfamoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methylbenzamide has a molecular weight of 458.63 g/mol, XLogP of 2.23, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfamoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methylbenzamide is sourced from PubChem (CID 55660200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).