N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-(4-methoxyphenyl)benzenesulfonamide

C22H26N2O6S — CID 10789541

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-(4-methoxyphenyl)benzenesulfonamide
SMILESCOCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(OC)cc1
InChIInChI=1S/C22H26N2O6S/c1-16-17(2)23-30-22(16)24(15-29-14-13-27-3)31(25,26)21-8-6-5-7-20(21)18-9-11-19(28-4)12-10-18/h5-12H,13-15H2,1-4H3
InChIKeyFHERRVLKFSHIOO-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.78
Rot. Bonds10

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-(4-methoxyphenyl)benzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 10789541) has the molecular formula C22H26N2O6S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-(4-methoxyphenyl)benzenesulfonamide
PubChem CID10789541
Molecular FormulaC22H26N2O6S
Molecular Weight446.53 g/mol
Exact Mass446.15
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-(4-methoxyphenyl)benzenesulfonamide
SMILESCOCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(OC)cc1
InChIInChI=1S/C22H26N2O6S/c1-16-17(2)23-30-22(16)24(15-29-14-13-27-3)31(25,26)21-8-6-5-7-20(21)18-9-11-19(28-4)12-10-18/h5-12H,13-15H2,1-4H3
InChIKeyFHERRVLKFSHIOO-UHFFFAOYSA-N
XLogP3.78
TPSA91.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.78
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-(4-methoxyphenyl)benzenesulfonamide (CID 10789541) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-(4-methoxyphenyl)benzenesulfonamide is COCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(OC)cc1.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is FHERRVLKFSHIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6S/c1-16-17(2)23-30-22(16)24(15-29-14-13-27-3)31(25,26)21-8-6-5-7-20(21)18-9-11-19(28-4)12-10-18/h5-12H,13-15H2,1-4H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-(4-methoxyphenyl)benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 446.53 g/mol, XLogP of 3.78, 10 rotatable bonds, 0 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)-N-(2-methoxyethoxymethyl)-2-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 10789541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).