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

C26H34N2O6S — CID 22574931

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(hydroxymethyl)-2-(2-methylpropyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide
SMILESCOCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(CO)cc1CC(C)C
InChIInChI=1S/C26H34N2O6S/c1-18(2)14-22-15-21(16-29)10-11-23(22)24-8-6-7-9-25(24)35(30,31)28(17-33-13-12-32-5)26-19(3)20(4)27-34-26/h6-11,15,18,29H,12-14,16-17H2,1-5H3
InChIKeyWPBKPOJETPRIKR-UHFFFAOYSA-N
MW502.63 g/mol
LogP4.47
Rot. Bonds12

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

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(hydroxymethyl)-2-(2-methylpropyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide (PubChem CID 22574931) has the molecular formula C26H34N2O6S and a molecular weight of 502.63 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(hydroxymethyl)-2-(2-methylpropyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(hydroxymethyl)-2-(2-methylpropyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide
PubChem CID22574931
Molecular FormulaC26H34N2O6S
Molecular Weight502.63 g/mol
Exact Mass502.21
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(hydroxymethyl)-2-(2-methylpropyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide
SMILESCOCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(CO)cc1CC(C)C
InChIInChI=1S/C26H34N2O6S/c1-18(2)14-22-15-21(16-29)10-11-23(22)24-8-6-7-9-25(24)35(30,31)28(17-33-13-12-32-5)26-19(3)20(4)27-34-26/h6-11,15,18,29H,12-14,16-17H2,1-5H3
InChIKeyWPBKPOJETPRIKR-UHFFFAOYSA-N
XLogP4.47
TPSA102.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.63
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(hydroxymethyl)-2-(2-methylpropyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(hydroxymethyl)-2-(2-methylpropyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(hydroxymethyl)-2-(2-methylpropyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide (CID 22574931) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(hydroxymethyl)-2-(2-methylpropyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(hydroxymethyl)-2-(2-methylpropyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(hydroxymethyl)-2-(2-methylpropyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide is COCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(CO)cc1CC(C)C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(hydroxymethyl)-2-(2-methylpropyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide?
The InChIKey is WPBKPOJETPRIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O6S/c1-18(2)14-22-15-21(16-29)10-11-23(22)24-8-6-7-9-25(24)35(30,31)28(17-33-13-12-32-5)26-19(3)20(4)27-34-26/h6-11,15,18,29H,12-14,16-17H2,1-5H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(hydroxymethyl)-2-(2-methylpropyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(hydroxymethyl)-2-(2-methylpropyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide has a molecular weight of 502.63 g/mol, XLogP of 4.47, 12 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-[4-(hydroxymethyl)-2-(2-methylpropyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide is sourced from PubChem (CID 22574931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).