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

C27H32N4O3S — CID 33139651

IUPAC3-(benzylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
SMILESO=C(NCCCN1CCN(c2ccccc2)CC1)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C27H32N4O3S/c32-27(28-15-8-16-30-17-19-31(20-18-30)25-12-5-2-6-13-25)24-11-7-14-26(21-24)35(33,34)29-22-23-9-3-1-4-10-23/h1-7,9-14,21,29H,8,15-20,22H2,(H,28,32)
InChIKeyMWGGHQLLDKCTQR-UHFFFAOYSA-N
MW492.65 g/mol
LogP3.11
Rot. Bonds10

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

3-(benzylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide (PubChem CID 33139651) has the molecular formula C27H32N4O3S and a molecular weight of 492.65 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
PubChem CID33139651
Molecular FormulaC27H32N4O3S
Molecular Weight492.65 g/mol
Exact Mass492.22
IUPAC Name3-(benzylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
SMILESO=C(NCCCN1CCN(c2ccccc2)CC1)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C27H32N4O3S/c32-27(28-15-8-16-30-17-19-31(20-18-30)25-12-5-2-6-13-25)24-11-7-14-26(21-24)35(33,34)29-22-23-9-3-1-4-10-23/h1-7,9-14,21,29H,8,15-20,22H2,(H,28,32)
InChIKeyMWGGHQLLDKCTQR-UHFFFAOYSA-N
XLogP3.11
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.65
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(benzylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(ethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 33134557
3-(benzylsulfamoyl)-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide
CID 60598425
5-(benzylsulfamoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methylbenzamide
CID 55660200
N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
CID 43071347
N-[3-(4-phenylpiperazin-1-yl)propyl]-3-(tetrazol-1-yl)benzamide
CID 33134269
N-[2-[[3-(benzylsulfamoyl)benzoyl]amino]ethyl]-2-chlorobenzamide
CID 55659262
3-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 42389147
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
3-(benzylsulfamoyl)-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 37270914
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600
4-(methoxymethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 38448613
N-(3-aminobutyl)-3-(benzylsulfamoyl)benzamide;hydrochloride
CID 119497312

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide (CID 33139651) is 3-(benzylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide is O=C(NCCCN1CCN(c2ccccc2)CC1)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The InChIKey is MWGGHQLLDKCTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3S/c32-27(28-15-8-16-30-17-19-31(20-18-30)25-12-5-2-6-13-25)24-11-7-14-26(21-24)35(33,34)29-22-23-9-3-1-4-10-23/h1-7,9-14,21,29H,8,15-20,22H2,(H,28,32).
What are the key properties of 3-(benzylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
3-(benzylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide has a molecular weight of 492.65 g/mol, XLogP of 3.11, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 33139651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).