4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3,5-dimethylphenyl)benzenesulfonamide

C20H22N2O4S — CID 89484262

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3,5-dimethylphenyl)benzenesulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(OCc3c(C)noc3C)cc2)c1
InChIInChI=1S/C20H22N2O4S/c1-13-9-14(2)11-17(10-13)22-27(23,24)19-7-5-18(6-8-19)25-12-20-15(3)21-26-16(20)4/h5-11,22H,12H2,1-4H3
InChIKeyAYSOISFXRHRVCJ-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.29
Rot. Bonds6

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3,5-dimethylphenyl)benzenesulfonamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3,5-dimethylphenyl)benzenesulfonamide (PubChem CID 89484262) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3,5-dimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3,5-dimethylphenyl)benzenesulfonamide
PubChem CID89484262
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3,5-dimethylphenyl)benzenesulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(OCc3c(C)noc3C)cc2)c1
InChIInChI=1S/C20H22N2O4S/c1-13-9-14(2)11-17(10-13)22-27(23,24)19-7-5-18(6-8-19)25-12-20-15(3)21-26-16(20)4/h5-11,22H,12H2,1-4H3
InChIKeyAYSOISFXRHRVCJ-UHFFFAOYSA-N
XLogP4.29
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(3,5-dimethylphenyl)acetamide
CID 7961030
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(4-ethoxyphenyl)sulfonylamino]-N-methylbenzamide
CID 55621572
N-(3-bromo-5-methylphenyl)-4-ethoxybenzenesulfonamide
CID 110604794
1,3-dimethyl-5-[(4-methylsulfonylphenoxy)methyl]benzene
CID 23017924
4-(4-bromophenoxy)-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 25035913
methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-2-methylpropanoate
CID 71247972
4-cyclopentyloxy-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110646346
N-(3,4-difluorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 28553530
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)benzenesulfonamide
CID 53054425
N-cyclopentyl-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 4574357
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-bromo-5-(propan-2-ylsulfamoyl)benzoate
CID 4882718
N-(2-chloro-4-methylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 7926596

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3,5-dimethylphenyl)benzenesulfonamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3,5-dimethylphenyl)benzenesulfonamide (CID 89484262) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3,5-dimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3,5-dimethylphenyl)benzenesulfonamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3,5-dimethylphenyl)benzenesulfonamide is Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCc3c(C)noc3C)cc2)c1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3,5-dimethylphenyl)benzenesulfonamide?
The InChIKey is AYSOISFXRHRVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-13-9-14(2)11-17(10-13)22-27(23,24)19-7-5-18(6-8-19)25-12-20-15(3)21-26-16(20)4/h5-11,22H,12H2,1-4H3.
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3,5-dimethylphenyl)benzenesulfonamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3,5-dimethylphenyl)benzenesulfonamide has a molecular weight of 386.47 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3,5-dimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 89484262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).