N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-ethyl-4-(hydroxymethyl)phenyl]-N-(methoxymethyl)benzenesulfonamide

C22H26N2O5S — CID 22574896

IUPACN-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-ethyl-4-(hydroxymethyl)phenyl]-N-(methoxymethyl)benzenesulfonamide
SMILESCCc1cc(CO)ccc1-c1ccccc1S(=O)(=O)N(COC)c1noc(C)c1C
InChIInChI=1S/C22H26N2O5S/c1-5-18-12-17(13-25)10-11-19(18)20-8-6-7-9-21(20)30(26,27)24(14-28-4)22-15(2)16(3)29-23-22/h6-12,25H,5,13-14H2,1-4H3
InChIKeyAHKMGQGPDMVCTD-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.81
Rot. Bonds8

About N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-ethyl-4-(hydroxymethyl)phenyl]-N-(methoxymethyl)benzenesulfonamide

N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-ethyl-4-(hydroxymethyl)phenyl]-N-(methoxymethyl)benzenesulfonamide (PubChem CID 22574896) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-ethyl-4-(hydroxymethyl)phenyl]-N-(methoxymethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-ethyl-4-(hydroxymethyl)phenyl]-N-(methoxymethyl)benzenesulfonamide
PubChem CID22574896
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-ethyl-4-(hydroxymethyl)phenyl]-N-(methoxymethyl)benzenesulfonamide
SMILESCCc1cc(CO)ccc1-c1ccccc1S(=O)(=O)N(COC)c1noc(C)c1C
InChIInChI=1S/C22H26N2O5S/c1-5-18-12-17(13-25)10-11-19(18)20-8-6-7-9-21(20)30(26,27)24(14-28-4)22-15(2)16(3)29-23-22/h6-12,25H,5,13-14H2,1-4H3
InChIKeyAHKMGQGPDMVCTD-UHFFFAOYSA-N
XLogP3.81
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-ethyl-4-(hydroxymethyl)phenyl]-N-(methoxymethyl)benzenesulfonamide 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

4'-(bromomethyl)-N-(4,5-dimethylisoxazol-3-yl)-2'-(ethoxymethyl)-N-((2-methoxyethoxy)methyl)-[1,1'-biphenyl]-2-sulfonamide
CID 22574679
N-(4,5-dimethylisoxazol-3-yl)-2'-(ethoxymethyl)-4'-formyl-N-((2-methoxyethoxy)methyl)-[1,1'-biphenyl]-2-sulfonamide
CID 22574827
N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-(2-fluoroethoxymethyl)-4-formylphenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide
CID 22574623
2-[4-(bromomethyl)-2-(2-fluoroethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-N-(2-methoxyethoxymethyl)benzenesulfonamide
CID 22574785
N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-(2-fluoroethoxymethyl)-4-(hydroxymethyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide
CID 22574824
N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[3-methyl-4-non-1-en-3-yl-2-(2,2,2-trifluoroethoxymethyl)phenyl]benzenesulfonamide
CID 70209244
2-[4-(bromomethyl)-2-propylphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-N-(methoxymethyl)benzenesulfonamide
CID 11156435
N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-(ethoxymethyl)-4-formylphenyl]-N-(methoxymethyl)benzenesulfonamide
CID 11178608
N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(4-formyl-2-propylphenyl)-N-(methoxymethyl)benzenesulfonamide
CID 11476257
4'-(bromomethyl)-N-(4,5-dimethylisoxazol-3-yl)-2'-(ethoxymethyl)-N-(methoxymethyl)-[1,1'-biphenyl]-2-sulfonamide
CID 11477967
N-(4,5-dimethylisoxazol-3-yl)-2'-(ethoxymethyl)-4'-(hydroxymethyl)-N-((2-methoxyethoxy)methyl)-[1,1'-biphenyl]-2-sulfonamide
CID 22574640
Methyl 4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)-(methoxymethyl)sulfamoyl]phenyl]-3-ethylbenzoate
CID 22574657

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-ethyl-4-(hydroxymethyl)phenyl]-N-(methoxymethyl)benzenesulfonamide?
The IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-ethyl-4-(hydroxymethyl)phenyl]-N-(methoxymethyl)benzenesulfonamide (CID 22574896) is N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-ethyl-4-(hydroxymethyl)phenyl]-N-(methoxymethyl)benzenesulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-ethyl-4-(hydroxymethyl)phenyl]-N-(methoxymethyl)benzenesulfonamide?
The canonical SMILES for N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-ethyl-4-(hydroxymethyl)phenyl]-N-(methoxymethyl)benzenesulfonamide is CCc1cc(CO)ccc1-c1ccccc1S(=O)(=O)N(COC)c1noc(C)c1C.
What is the InChIKey of N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-ethyl-4-(hydroxymethyl)phenyl]-N-(methoxymethyl)benzenesulfonamide?
The InChIKey is AHKMGQGPDMVCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-5-18-12-17(13-25)10-11-19(18)20-8-6-7-9-21(20)30(26,27)24(14-28-4)22-15(2)16(3)29-23-22/h6-12,25H,5,13-14H2,1-4H3.
What are the key properties of N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-ethyl-4-(hydroxymethyl)phenyl]-N-(methoxymethyl)benzenesulfonamide?
N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-ethyl-4-(hydroxymethyl)phenyl]-N-(methoxymethyl)benzenesulfonamide has a molecular weight of 430.53 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-ethyl-4-(hydroxymethyl)phenyl]-N-(methoxymethyl)benzenesulfonamide is sourced from PubChem (CID 22574896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).