N-[3-(benzenesulfonamido)-4-methylphenyl]-4-(oxolan-2-ylmethoxy)benzamide

C25H26N2O5S — CID 55705614

IUPACN-[3-(benzenesulfonamido)-4-methylphenyl]-4-(oxolan-2-ylmethoxy)benzamide
SMILESCc1ccc(NC(=O)c2ccc(OCC3CCCO3)cc2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C25H26N2O5S/c1-18-9-12-20(16-24(18)27-33(29,30)23-7-3-2-4-8-23)26-25(28)19-10-13-21(14-11-19)32-17-22-6-5-15-31-22/h2-4,7-14,16,22,27H,5-6,15,17H2,1H3,(H,26,28)
InChIKeyAMJMRHZWSQCIGI-UHFFFAOYSA-N
MW466.56 g/mol
LogP4.61
Rot. Bonds8

About N-[3-(benzenesulfonamido)-4-methylphenyl]-4-(oxolan-2-ylmethoxy)benzamide

N-[3-(benzenesulfonamido)-4-methylphenyl]-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 55705614) has the molecular formula C25H26N2O5S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-[3-(benzenesulfonamido)-4-methylphenyl]-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonamido)-4-methylphenyl]-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID55705614
Molecular FormulaC25H26N2O5S
Molecular Weight466.56 g/mol
Exact Mass466.16
IUPAC NameN-[3-(benzenesulfonamido)-4-methylphenyl]-4-(oxolan-2-ylmethoxy)benzamide
SMILESCc1ccc(NC(=O)c2ccc(OCC3CCCO3)cc2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C25H26N2O5S/c1-18-9-12-20(16-24(18)27-33(29,30)23-7-3-2-4-8-23)26-25(28)19-10-13-21(14-11-19)32-17-22-6-5-15-31-22/h2-4,7-14,16,22,27H,5-6,15,17H2,1H3,(H,26,28)
InChIKeyAMJMRHZWSQCIGI-UHFFFAOYSA-N
XLogP4.61
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(benzenesulfonamido)-4-methylphenyl]-4-(oxolan-2-ylmethoxy)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-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 17222218
N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580258
N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 42910606
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-butoxybenzamide
CID 55705690
4-(oxolan-2-ylmethoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 17222220
N-[4-(methanesulfonamido)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 36818148
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-4-phenylbenzamide
CID 9294955
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide
CID 55705717
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
2-methyl-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 9295083
4-(oxolan-2-ylmethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 4314126

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonamido)-4-methylphenyl]-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[3-(benzenesulfonamido)-4-methylphenyl]-4-(oxolan-2-ylmethoxy)benzamide (CID 55705614) is N-[3-(benzenesulfonamido)-4-methylphenyl]-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[3-(benzenesulfonamido)-4-methylphenyl]-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[3-(benzenesulfonamido)-4-methylphenyl]-4-(oxolan-2-ylmethoxy)benzamide is Cc1ccc(NC(=O)c2ccc(OCC3CCCO3)cc2)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[3-(benzenesulfonamido)-4-methylphenyl]-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is AMJMRHZWSQCIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5S/c1-18-9-12-20(16-24(18)27-33(29,30)23-7-3-2-4-8-23)26-25(28)19-10-13-21(14-11-19)32-17-22-6-5-15-31-22/h2-4,7-14,16,22,27H,5-6,15,17H2,1H3,(H,26,28).
What are the key properties of N-[3-(benzenesulfonamido)-4-methylphenyl]-4-(oxolan-2-ylmethoxy)benzamide?
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 466.56 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonamido)-4-methylphenyl]-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 55705614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).