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

C24H30N2O7S — CID 22574806

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(hydroxymethyl)-2-(methoxymethyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide
SMILESCOCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(CO)cc1COC
InChIInChI=1S/C24H30N2O7S/c1-17-18(2)25-33-24(17)26(16-32-12-11-30-3)34(28,29)23-8-6-5-7-22(23)21-10-9-19(14-27)13-20(21)15-31-4/h5-10,13,27H,11-12,14-16H2,1-4H3
InChIKeyZLOUDYBUNHXTPL-UHFFFAOYSA-N
MW490.58 g/mol
LogP3.41
Rot. Bonds12

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

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(hydroxymethyl)-2-(methoxymethyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide (PubChem CID 22574806) has the molecular formula C24H30N2O7S and a molecular weight of 490.58 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(hydroxymethyl)-2-(methoxymethyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(hydroxymethyl)-2-(methoxymethyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide
PubChem CID22574806
Molecular FormulaC24H30N2O7S
Molecular Weight490.58 g/mol
Exact Mass490.18
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(hydroxymethyl)-2-(methoxymethyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide
SMILESCOCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(CO)cc1COC
InChIInChI=1S/C24H30N2O7S/c1-17-18(2)25-33-24(17)26(16-32-12-11-30-3)34(28,29)23-8-6-5-7-22(23)21-10-9-19(14-27)13-20(21)15-31-4/h5-10,13,27H,11-12,14-16H2,1-4H3
InChIKeyZLOUDYBUNHXTPL-UHFFFAOYSA-N
XLogP3.41
TPSA111.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(hydroxymethyl)-2-(methoxymethyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(hydroxymethyl)-2-(methoxymethyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide (CID 22574806) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(hydroxymethyl)-2-(methoxymethyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(hydroxymethyl)-2-(methoxymethyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(hydroxymethyl)-2-(methoxymethyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide is COCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(CO)cc1COC.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(hydroxymethyl)-2-(methoxymethyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide?
The InChIKey is ZLOUDYBUNHXTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O7S/c1-17-18(2)25-33-24(17)26(16-32-12-11-30-3)34(28,29)23-8-6-5-7-22(23)21-10-9-19(14-27)13-20(21)15-31-4/h5-10,13,27H,11-12,14-16H2,1-4H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(hydroxymethyl)-2-(methoxymethyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(hydroxymethyl)-2-(methoxymethyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide has a molecular weight of 490.58 g/mol, XLogP of 3.41, 12 rotatable bonds, 1 hydrogen bond donors, and 8 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-(methoxymethyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide is sourced from PubChem (CID 22574806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).