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

C25H28N2O4S — CID 4936114

IUPAC4-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-2-3-19-31-23-13-9-21(10-14-23)25(28)27-22-11-15-24(16-12-22)32(29,30)26-18-17-20-7-5-4-6-8-20/h4-16,26H,2-3,17-19H2,1H3,(H,27,28)
InChIKeyDXSAZVVMWFWSIQ-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.64
Rot. Bonds11

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

4-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide (PubChem CID 4936114) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 4-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
PubChem CID4936114
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name4-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-2-3-19-31-23-13-9-21(10-14-23)25(28)27-22-11-15-24(16-12-22)32(29,30)26-18-17-20-7-5-4-6-8-20/h4-16,26H,2-3,17-19H2,1H3,(H,27,28)
InChIKeyDXSAZVVMWFWSIQ-UHFFFAOYSA-N
XLogP4.64
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.64
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

4-(2-phenylethoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4956301
4-ethoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3601253
4-heptoxy-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 4950690
4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130195
4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17066999
4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3595428
4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4110983
4-bromo-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 5049971
4-(2-ethylbutanoylamino)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 17309261
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
3-(4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 108807272
5-bromo-2-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 17349933

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide (CID 4936114) is 4-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide is CCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide?
The InChIKey is DXSAZVVMWFWSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-2-3-19-31-23-13-9-21(10-14-23)25(28)27-22-11-15-24(16-12-22)32(29,30)26-18-17-20-7-5-4-6-8-20/h4-16,26H,2-3,17-19H2,1H3,(H,27,28).
What are the key properties of 4-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide?
4-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide has a molecular weight of 452.58 g/mol, XLogP of 4.64, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 4936114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).