N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylbenzenesulfonamide

C19H20N2O3S — CID 165343462

IUPACN-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(-c3c(C)noc3C)ccc2C)cc1
InChIInChI=1S/C19H20N2O3S/c1-12-5-9-17(10-6-12)25(22,23)21-18-11-16(8-7-13(18)2)19-14(3)20-24-15(19)4/h5-11,21H,1-4H3
InChIKeySOVTYYMNLQPMGZ-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.38
Rot. Bonds4

About N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylbenzenesulfonamide

N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylbenzenesulfonamide (PubChem CID 165343462) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylbenzenesulfonamide
PubChem CID165343462
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(-c3c(C)noc3C)ccc2C)cc1
InChIInChI=1S/C19H20N2O3S/c1-12-5-9-17(10-6-12)25(22,23)21-18-11-16(8-7-13(18)2)19-14(3)20-24-15(19)4/h5-11,21H,1-4H3
InChIKeySOVTYYMNLQPMGZ-UHFFFAOYSA-N
XLogP4.38
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 53054416
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)benzenesulfonamide
CID 53054425
N-(3,4-difluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 53054412
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,4-dimethylphenyl)-2-methylbenzenesulfonamide
CID 53054290
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methoxyphenyl)benzenesulfonamide
CID 53054335
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol
CID 53218794
4-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 46830882
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
CID 142046789
N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5146130
N-(3-methyl-1,2-oxazol-4-yl)-4-(4-methylphenyl)benzenesulfonamide
CID 54386633
4-methyl-N-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide
CID 169370628

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylbenzenesulfonamide (CID 165343462) is N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(-c3c(C)noc3C)ccc2C)cc1.
What is the InChIKey of N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylbenzenesulfonamide?
The InChIKey is SOVTYYMNLQPMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-12-5-9-17(10-6-12)25(22,23)21-18-11-16(8-7-13(18)2)19-14(3)20-24-15(19)4/h5-11,21H,1-4H3.
What are the key properties of N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylbenzenesulfonamide?
N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylbenzenesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 165343462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).