N-(4-ethoxy-2-methylphenyl)-3-methyl-1,2-oxazole-4-sulfonamide

C13H16N2O4S — CID 126830755

IUPACN-(4-ethoxy-2-methylphenyl)-3-methyl-1,2-oxazole-4-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2conc2C)c(C)c1
InChIInChI=1S/C13H16N2O4S/c1-4-18-11-5-6-12(9(2)7-11)15-20(16,17)13-8-19-14-10(13)3/h5-8,15H,4H2,1-3H3
InChIKeyOUIYUVGJCXUGOA-UHFFFAOYSA-N
MW296.35 g/mol
LogP2.49
Rot. Bonds5

About N-(4-ethoxy-2-methylphenyl)-3-methyl-1,2-oxazole-4-sulfonamide

N-(4-ethoxy-2-methylphenyl)-3-methyl-1,2-oxazole-4-sulfonamide (PubChem CID 126830755) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-(4-ethoxy-2-methylphenyl)-3-methyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-ethoxy-2-methylphenyl)-3-methyl-1,2-oxazole-4-sulfonamide
PubChem CID126830755
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC NameN-(4-ethoxy-2-methylphenyl)-3-methyl-1,2-oxazole-4-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2conc2C)c(C)c1
InChIInChI=1S/C13H16N2O4S/c1-4-18-11-5-6-12(9(2)7-11)15-20(16,17)13-8-19-14-10(13)3/h5-8,15H,4H2,1-3H3
InChIKeyOUIYUVGJCXUGOA-UHFFFAOYSA-N
XLogP2.49
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxy-2-methylphenyl)ethanesulfonamide
CID 61063373
N-(4-ethoxy-2-methylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103299321
5-[(4-ethoxy-2-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 56814744
N-(4-chloro-5-methyl-1,2-oxazol-3-yl)-4-ethoxy-2-methylbenzenesulfonamide
CID 138014337
N-(4-methoxy-2-methylphenyl)-2-methylbenzenesulfonamide
CID 62997670
4-ethoxy-N-(1-ethylsulfonylpropan-2-yl)-2-methylaniline
CID 115916635
4-methoxy-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide
CID 126821555
N-[4-(diethylamino)-2-methylphenyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113098997
N-(4-ethoxy-2-methylphenyl)methanesulfinamide
CID 145156029
N-(4-ethoxy-2-nitrophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 75394401
2-cyclopropyl-N-(4-ethoxy-2-methylphenyl)-2-methoxyethanesulfonamide
CID 126819309
N-(2,5-diethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 53112129

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-2-methylphenyl)-3-methyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(4-ethoxy-2-methylphenyl)-3-methyl-1,2-oxazole-4-sulfonamide (CID 126830755) is N-(4-ethoxy-2-methylphenyl)-3-methyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(4-ethoxy-2-methylphenyl)-3-methyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(4-ethoxy-2-methylphenyl)-3-methyl-1,2-oxazole-4-sulfonamide is CCOc1ccc(NS(=O)(=O)c2conc2C)c(C)c1.
What is the InChIKey of N-(4-ethoxy-2-methylphenyl)-3-methyl-1,2-oxazole-4-sulfonamide?
The InChIKey is OUIYUVGJCXUGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-4-18-11-5-6-12(9(2)7-11)15-20(16,17)13-8-19-14-10(13)3/h5-8,15H,4H2,1-3H3.
What are the key properties of N-(4-ethoxy-2-methylphenyl)-3-methyl-1,2-oxazole-4-sulfonamide?
N-(4-ethoxy-2-methylphenyl)-3-methyl-1,2-oxazole-4-sulfonamide has a molecular weight of 296.35 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-2-methylphenyl)-3-methyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 126830755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).