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

C23H28N2O6S — CID 170353497

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(ethoxymethyl)-4-(hydroxymethyl)phenyl]-N-(methoxymethyl)benzenesulfonamide
SMILESCCOCc1cc(CO)ccc1-c1ccccc1S(=O)(=O)N(COC)c1onc(C)c1C
InChIInChI=1S/C23H28N2O6S/c1-5-30-14-19-12-18(13-26)10-11-20(19)21-8-6-7-9-22(21)32(27,28)25(15-29-4)23-16(2)17(3)24-31-23/h6-12,26H,5,13-15H2,1-4H3
InChIKeyUWRQCGGRCDWPAO-UHFFFAOYSA-N
MW460.55 g/mol
LogP3.79
Rot. Bonds10

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

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(ethoxymethyl)-4-(hydroxymethyl)phenyl]-N-(methoxymethyl)benzenesulfonamide (PubChem CID 170353497) has the molecular formula C23H28N2O6S and a molecular weight of 460.55 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(ethoxymethyl)-4-(hydroxymethyl)phenyl]-N-(methoxymethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(ethoxymethyl)-4-(hydroxymethyl)phenyl]-N-(methoxymethyl)benzenesulfonamide
PubChem CID170353497
Molecular FormulaC23H28N2O6S
Molecular Weight460.55 g/mol
Exact Mass460.17
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(ethoxymethyl)-4-(hydroxymethyl)phenyl]-N-(methoxymethyl)benzenesulfonamide
SMILESCCOCc1cc(CO)ccc1-c1ccccc1S(=O)(=O)N(COC)c1onc(C)c1C
InChIInChI=1S/C23H28N2O6S/c1-5-30-14-19-12-18(13-26)10-11-20(19)21-8-6-7-9-22(21)32(27,28)25(15-29-4)23-16(2)17(3)24-31-23/h6-12,26H,5,13-15H2,1-4H3
InChIKeyUWRQCGGRCDWPAO-UHFFFAOYSA-N
XLogP3.79
TPSA102.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(hydroxymethyl)-2-(2-methylpropyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide
CID 22574931
N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-(2-fluoroethoxymethyl)-4-(hydroxymethyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide
CID 22574824
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(2-hydroxyethoxymethyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide
CID 57324901
N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(hydroxymethyl)-2-methylphenyl]-N-(methoxymethyl)benzenesulfonamide
CID 22574698
2-[4-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-N-(methoxymethyl)benzenesulfonamide
CID 44552741
methyl 4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)-(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]-3-[(2-methylpropan-2-yl)oxymethyl]benzoate
CID 22575000
N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-(4-methoxyphenyl)benzenesulfonamide
CID 10789541
methyl 4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)-(2-methoxyethoxymethyl)sulfamoyl]phenyl]-3-(ethoxymethyl)benzoate
CID 167442621
N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-[(5,7-dimethyl-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1-yl)methyl]-2-(ethoxymethyl)phenyl]-N-(methoxymethyl)benzenesulfonamide
CID 70948614
2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(methoxymethyl)pyridine-3-sulfonamide
CID 166545076
2-[4-(4,6-dimethoxypyrimidin-2-yl)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)benzenesulfonamide
CID 19085511
[2-[(3,4-dimethyl-1,2-oxazol-5-yl)-(methoxymethyl)sulfamoyl]phenyl]-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyborinic acid
CID 67523573

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(ethoxymethyl)-4-(hydroxymethyl)phenyl]-N-(methoxymethyl)benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(ethoxymethyl)-4-(hydroxymethyl)phenyl]-N-(methoxymethyl)benzenesulfonamide (CID 170353497) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(ethoxymethyl)-4-(hydroxymethyl)phenyl]-N-(methoxymethyl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(ethoxymethyl)-4-(hydroxymethyl)phenyl]-N-(methoxymethyl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(ethoxymethyl)-4-(hydroxymethyl)phenyl]-N-(methoxymethyl)benzenesulfonamide is CCOCc1cc(CO)ccc1-c1ccccc1S(=O)(=O)N(COC)c1onc(C)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(ethoxymethyl)-4-(hydroxymethyl)phenyl]-N-(methoxymethyl)benzenesulfonamide?
The InChIKey is UWRQCGGRCDWPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O6S/c1-5-30-14-19-12-18(13-26)10-11-20(19)21-8-6-7-9-22(21)32(27,28)25(15-29-4)23-16(2)17(3)24-31-23/h6-12,26H,5,13-15H2,1-4H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(ethoxymethyl)-4-(hydroxymethyl)phenyl]-N-(methoxymethyl)benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(ethoxymethyl)-4-(hydroxymethyl)phenyl]-N-(methoxymethyl)benzenesulfonamide has a molecular weight of 460.55 g/mol, XLogP of 3.79, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(ethoxymethyl)-4-(hydroxymethyl)phenyl]-N-(methoxymethyl)benzenesulfonamide is sourced from PubChem (CID 170353497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).