4-(oxolan-2-ylmethylsulfamoyl)-N-(4-phenoxybutyl)benzamide

C22H28N2O5S — CID 24552448

IUPAC4-(oxolan-2-ylmethylsulfamoyl)-N-(4-phenoxybutyl)benzamide
SMILESO=C(NCCCCOc1ccccc1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C22H28N2O5S/c25-22(23-14-4-5-15-28-19-7-2-1-3-8-19)18-10-12-21(13-11-18)30(26,27)24-17-20-9-6-16-29-20/h1-3,7-8,10-13,20,24H,4-6,9,14-17H2,(H,23,25)
InChIKeyBOKLYZVMIHPRGR-UHFFFAOYSA-N
MW432.54 g/mol
LogP2.73
Rot. Bonds11

About 4-(oxolan-2-ylmethylsulfamoyl)-N-(4-phenoxybutyl)benzamide

4-(oxolan-2-ylmethylsulfamoyl)-N-(4-phenoxybutyl)benzamide (PubChem CID 24552448) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethylsulfamoyl)-N-(4-phenoxybutyl)benzamide.

Molecular Properties

Compound Name4-(oxolan-2-ylmethylsulfamoyl)-N-(4-phenoxybutyl)benzamide
PubChem CID24552448
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC Name4-(oxolan-2-ylmethylsulfamoyl)-N-(4-phenoxybutyl)benzamide
SMILESO=C(NCCCCOc1ccccc1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C22H28N2O5S/c25-22(23-14-4-5-15-28-19-7-2-1-3-8-19)18-10-12-21(13-11-18)30(26,27)24-17-20-9-6-16-29-20/h1-3,7-8,10-13,20,24H,4-6,9,14-17H2,(H,23,25)
InChIKeyBOKLYZVMIHPRGR-UHFFFAOYSA-N
XLogP2.73
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 52.73
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

N-(4-hydroxybutyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 100703871
N-hexyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51339257
N-[3-(N-ethylanilino)propyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46655859
N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41129794
N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51163666
4-butoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 17147023
4-(oxolan-2-ylmethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide
CID 46468515
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46478512
N-[3-oxo-3-[4-(oxolan-2-ylmethylsulfamoyl)anilino]propyl]benzamide
CID 17154597
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(2-phenoxyphenyl)benzamide
CID 25412976
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
N-[2-(4-fluorophenyl)ethyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9392189

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethylsulfamoyl)-N-(4-phenoxybutyl)benzamide?
The IUPAC name of 4-(oxolan-2-ylmethylsulfamoyl)-N-(4-phenoxybutyl)benzamide (CID 24552448) is 4-(oxolan-2-ylmethylsulfamoyl)-N-(4-phenoxybutyl)benzamide.
What is the SMILES notation for 4-(oxolan-2-ylmethylsulfamoyl)-N-(4-phenoxybutyl)benzamide?
The canonical SMILES for 4-(oxolan-2-ylmethylsulfamoyl)-N-(4-phenoxybutyl)benzamide is O=C(NCCCCOc1ccccc1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of 4-(oxolan-2-ylmethylsulfamoyl)-N-(4-phenoxybutyl)benzamide?
The InChIKey is BOKLYZVMIHPRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c25-22(23-14-4-5-15-28-19-7-2-1-3-8-19)18-10-12-21(13-11-18)30(26,27)24-17-20-9-6-16-29-20/h1-3,7-8,10-13,20,24H,4-6,9,14-17H2,(H,23,25).
What are the key properties of 4-(oxolan-2-ylmethylsulfamoyl)-N-(4-phenoxybutyl)benzamide?
4-(oxolan-2-ylmethylsulfamoyl)-N-(4-phenoxybutyl)benzamide has a molecular weight of 432.54 g/mol, XLogP of 2.73, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethylsulfamoyl)-N-(4-phenoxybutyl)benzamide is sourced from PubChem (CID 24552448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).