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

C19H20N2O3S — CID 53054383

IUPAC4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1noc(C)c1-c1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C19H20N2O3S/c1-14-19(15(2)24-21-14)17-8-10-18(11-9-17)25(22,23)20-13-12-16-6-4-3-5-7-16/h3-11,20H,12-13H2,1-2H3
InChIKeyWGWBZPYWYSBIBD-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.48
Rot. Bonds6

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

4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 53054383) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide
PubChem CID53054383
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1noc(C)c1-c1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C19H20N2O3S/c1-14-19(15(2)24-21-14)17-8-10-18(11-9-17)25(22,23)20-13-12-16-6-4-3-5-7-16/h3-11,20H,12-13H2,1-2H3
InChIKeyWGWBZPYWYSBIBD-UHFFFAOYSA-N
XLogP3.48
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propylbenzenesulfonamide
CID 69083499
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 53054353
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1-phenylmethanesulfonamide
CID 110669901
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)benzenesulfonamide
CID 53054425
4-methylsulfanyl-N-(2-phenylethyl)benzenesulfonamide
CID 961989
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(3-phenylpropyl)benzenesulfonamide
CID 110414948
3,5-dimethyl-N-[2-(4-propylphenyl)ethyl]-1,2-oxazole-4-sulfonamide
CID 110787816
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzenesulfonamide
CID 16890478
N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylbenzenesulfonamide
CID 165343462
4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide
CID 5222462
4-hydrazinyl-N-(2-phenylethyl)benzenesulfonamide
CID 43454992
3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 3482248

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide (CID 53054383) is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide is Cc1noc(C)c1-c1ccc(S(=O)(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is WGWBZPYWYSBIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-14-19(15(2)24-21-14)17-8-10-18(11-9-17)25(22,23)20-13-12-16-6-4-3-5-7-16/h3-11,20H,12-13H2,1-2H3.
What are the key properties of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide?
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 53054383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).