5-bromo-2-(2-phenylethoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide

C24H23BrN2O4S — CID 17046182

IUPAC5-bromo-2-(2-phenylethoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide
SMILESC=CCNS(=O)(=O)c1ccc(NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1
InChIInChI=1S/C24H23BrN2O4S/c1-2-15-26-32(29,30)21-11-9-20(10-12-21)27-24(28)22-17-19(25)8-13-23(22)31-16-14-18-6-4-3-5-7-18/h2-13,17,26H,1,14-16H2,(H,27,28)
InChIKeyLDOQOPDPQPNHFC-UHFFFAOYSA-N
MW515.43 g/mol
LogP4.79
Rot. Bonds10

About 5-bromo-2-(2-phenylethoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide

5-bromo-2-(2-phenylethoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide (PubChem CID 17046182) has the molecular formula C24H23BrN2O4S and a molecular weight of 515.43 g/mol. Its IUPAC name is 5-bromo-2-(2-phenylethoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-(2-phenylethoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide
PubChem CID17046182
Molecular FormulaC24H23BrN2O4S
Molecular Weight515.43 g/mol
Exact Mass514.06
IUPAC Name5-bromo-2-(2-phenylethoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide
SMILESC=CCNS(=O)(=O)c1ccc(NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1
InChIInChI=1S/C24H23BrN2O4S/c1-2-15-26-32(29,30)21-11-9-20(10-12-21)27-24(28)22-17-19(25)8-13-23(22)31-16-14-18-6-4-3-5-7-18/h2-13,17,26H,1,14-16H2,(H,27,28)
InChIKeyLDOQOPDPQPNHFC-UHFFFAOYSA-N
XLogP4.79
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.43
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-bromo-2-(2-phenylethoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]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

5-bromo-2-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 17349933
5-bromo-2-hexoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 17343328
5-bromo-2-(2-phenylethoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086780
N-[[4-[bis(prop-2-enyl)sulfamoyl]phenyl]carbamothioyl]-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046688
N-[2-[(4-anilinophenyl)carbamoyl]phenyl]-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046203
5-bromo-N-(4-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 17046073
5-bromo-2-(2-phenylethoxy)-N-(4-propan-2-yloxyphenyl)benzamide
CID 17046227
5-bromo-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-phenylethoxy)benzamide
CID 17046134
5-bromo-2-(2-phenylethoxy)-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 17046599
N-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide
CID 17234918
5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17199571
5-bromo-N-[[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 17046578

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-phenylethoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-(2-phenylethoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide (CID 17046182) is 5-bromo-2-(2-phenylethoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-(2-phenylethoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-(2-phenylethoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide is C=CCNS(=O)(=O)c1ccc(NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1.
What is the InChIKey of 5-bromo-2-(2-phenylethoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide?
The InChIKey is LDOQOPDPQPNHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O4S/c1-2-15-26-32(29,30)21-11-9-20(10-12-21)27-24(28)22-17-19(25)8-13-23(22)31-16-14-18-6-4-3-5-7-18/h2-13,17,26H,1,14-16H2,(H,27,28).
What are the key properties of 5-bromo-2-(2-phenylethoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide?
5-bromo-2-(2-phenylethoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide has a molecular weight of 515.43 g/mol, XLogP of 4.79, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-phenylethoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 17046182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).