4-butoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide

C22H28N2O5S — CID 17147023

IUPAC4-butoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)cc1
InChIInChI=1S/C22H28N2O5S/c1-2-3-14-28-19-10-6-17(7-11-19)22(25)24-18-8-12-21(13-9-18)30(26,27)23-16-20-5-4-15-29-20/h6-13,20,23H,2-5,14-16H2,1H3,(H,24,25)
InChIKeyHZZVIFOXMGOVNC-UHFFFAOYSA-N
MW432.54 g/mol
LogP3.58
Rot. Bonds10

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

4-butoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide (PubChem CID 17147023) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is 4-butoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
PubChem CID17147023
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC Name4-butoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)cc1
InChIInChI=1S/C22H28N2O5S/c1-2-3-14-28-19-10-6-17(7-11-19)22(25)24-18-8-12-21(13-9-18)30(26,27)23-16-20-5-4-15-29-20/h6-13,20,23H,2-5,14-16H2,1H3,(H,24,25)
InChIKeyHZZVIFOXMGOVNC-UHFFFAOYSA-N
XLogP3.58
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-butoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)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

N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-4-propoxybenzamide
CID 17161319
3,4,5-triethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 3930366
N-(4-butoxyphenyl)-2,4-dichloro-5-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 42582851
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-propoxybenzamide
CID 17161199
2-(4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 17105820
3-bromo-4-(2-methoxyethoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 17161225
N-hexyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51339257
4-(oxolan-2-ylmethylsulfamoyl)-N-(4-phenoxybutyl)benzamide
CID 24552448
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 42305435
N-(4-morpholin-4-ylphenyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41094823
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide
CID 17147003
4-heptoxy-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 4950690

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-butoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide (CID 17147023) is 4-butoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-butoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide is CCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)cc1.
What is the InChIKey of 4-butoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide?
The InChIKey is HZZVIFOXMGOVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-2-3-14-28-19-10-6-17(7-11-19)22(25)24-18-8-12-21(13-9-18)30(26,27)23-16-20-5-4-15-29-20/h6-13,20,23H,2-5,14-16H2,1H3,(H,24,25).
What are the key properties of 4-butoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide?
4-butoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide has a molecular weight of 432.54 g/mol, XLogP of 3.58, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 17147023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).