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

C24H30N2O7S — CID 57324901

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(2-hydroxyethoxymethyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide
SMILESCOCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(COCCO)cc1
InChIInChI=1S/C24H30N2O7S/c1-18-19(2)25-33-24(18)26(17-32-15-14-30-3)34(28,29)23-7-5-4-6-22(23)21-10-8-20(9-11-21)16-31-13-12-27/h4-11,27H,12-17H2,1-3H3
InChIKeyODCDAPIMVZBJCB-UHFFFAOYSA-N
MW490.58 g/mol
LogP3.28
Rot. Bonds13

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

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(2-hydroxyethoxymethyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide (PubChem CID 57324901) 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-(2-hydroxyethoxymethyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(2-hydroxyethoxymethyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide
PubChem CID57324901
Molecular FormulaC24H30N2O7S
Molecular Weight490.58 g/mol
Exact Mass490.18
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(2-hydroxyethoxymethyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide
SMILESCOCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(COCCO)cc1
InChIInChI=1S/C24H30N2O7S/c1-18-19(2)25-33-24(18)26(17-32-15-14-30-3)34(28,29)23-7-5-4-6-22(23)21-10-8-20(9-11-21)16-31-13-12-27/h4-11,27H,12-17H2,1-3H3
InChIKeyODCDAPIMVZBJCB-UHFFFAOYSA-N
XLogP3.28
TPSA111.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 53.28
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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Related Compounds

N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-(4-methoxyphenyl)benzenesulfonamide
CID 10789541
N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 22103387
2-[4-(4,6-dimethoxypyrimidin-2-yl)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)benzenesulfonamide
CID 19085511
N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]benzenesulfonamide
CID 141234150
[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)-(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]phenyl]methyl methanesulfonate
CID 20757780
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(hydroxymethyl)-2-(2-methylpropyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide
CID 22574931
2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)benzenesulfonamide
CID 11072213
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(ethoxymethyl)-4-(hydroxymethyl)phenyl]-N-(methoxymethyl)benzenesulfonamide
CID 170353497
2-[2-(benzimidazol-1-ylmethyl)-4-(1,3-oxazol-2-yl)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)benzenesulfonamide
CID 22103488
2-[2-[(2-anilinoethylamino)methyl]-4-(1,3-oxazol-2-yl)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)benzenesulfonamide
CID 22103516
N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[2-[2-(5-methyltetrazol-2-yl)ethyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
CID 70081274
methyl 4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)-(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]-3-[(2-methylpropan-2-yl)oxymethyl]benzoate
CID 22575000

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(2-hydroxyethoxymethyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(2-hydroxyethoxymethyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide (CID 57324901) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(2-hydroxyethoxymethyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(2-hydroxyethoxymethyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(2-hydroxyethoxymethyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide is COCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(COCCO)cc1.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(2-hydroxyethoxymethyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide?
The InChIKey is ODCDAPIMVZBJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O7S/c1-18-19(2)25-33-24(18)26(17-32-15-14-30-3)34(28,29)23-7-5-4-6-22(23)21-10-8-20(9-11-21)16-31-13-12-27/h4-11,27H,12-17H2,1-3H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(2-hydroxyethoxymethyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(2-hydroxyethoxymethyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide has a molecular weight of 490.58 g/mol, XLogP of 3.28, 13 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-(2-hydroxyethoxymethyl)phenyl]-N-(2-methoxyethoxymethyl)benzenesulfonamide is sourced from PubChem (CID 57324901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).