5-bromo-2-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide

C25H27BrN2O4S — CID 17349933

IUPAC5-bromo-2-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
SMILESCCCCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C25H27BrN2O4S/c1-2-3-17-32-24-14-9-20(26)18-23(24)25(29)28-21-10-12-22(13-11-21)33(30,31)27-16-15-19-7-5-4-6-8-19/h4-14,18,27H,2-3,15-17H2,1H3,(H,28,29)
InChIKeyZZPDUMIJXWGGRO-UHFFFAOYSA-N
MW531.47 g/mol
LogP5.40
Rot. Bonds11

About 5-bromo-2-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide

5-bromo-2-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide (PubChem CID 17349933) has the molecular formula C25H27BrN2O4S and a molecular weight of 531.47 g/mol. Its IUPAC name is 5-bromo-2-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
PubChem CID17349933
Molecular FormulaC25H27BrN2O4S
Molecular Weight531.47 g/mol
Exact Mass530.09
IUPAC Name5-bromo-2-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
SMILESCCCCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C25H27BrN2O4S/c1-2-3-17-32-24-14-9-20(26)18-23(24)25(29)28-21-10-12-22(13-11-21)33(30,31)27-16-15-19-7-5-4-6-8-19/h4-14,18,27H,2-3,15-17H2,1H3,(H,28,29)
InChIKeyZZPDUMIJXWGGRO-UHFFFAOYSA-N
XLogP5.40
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.47
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-hexoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 17343328
5-bromo-2-ethoxy-N-[[4-(2-phenylethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17353135
5-bromo-2-(2-phenylethoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide
CID 17046182
4-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4936114
5-bromo-2-butoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17350003
5-bromo-2-butoxy-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
CID 17349929
5-bromo-N-(4-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 17046073
5-bromo-2-butoxy-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 17350006
5-bromo-2-methoxy-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17094279
5-bromo-2-hexoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 17343411
5-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-hexoxybenzamide
CID 17170978
5-bromo-2-hexoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17343317

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide (CID 17349933) is 5-bromo-2-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide is CCCCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 5-bromo-2-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide?
The InChIKey is ZZPDUMIJXWGGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrN2O4S/c1-2-3-17-32-24-14-9-20(26)18-23(24)25(29)28-21-10-12-22(13-11-21)33(30,31)27-16-15-19-7-5-4-6-8-19/h4-14,18,27H,2-3,15-17H2,1H3,(H,28,29).
What are the key properties of 5-bromo-2-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide?
5-bromo-2-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide has a molecular weight of 531.47 g/mol, XLogP of 5.40, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 17349933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).