N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-4-methoxybenzenesulfonamide

C24H22N2O4S — CID 20975136

IUPACN-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)cc1
InChIInChI=1S/C24H22N2O4S/c1-16-4-13-22(17(2)14-16)23-15-30-24(25-23)18-5-7-19(8-6-18)26-31(27,28)21-11-9-20(29-3)10-12-21/h4-15,26H,1-3H3
InChIKeyWHOZKTDYKUHCIJ-UHFFFAOYSA-N
MW434.52 g/mol
LogP5.43
Rot. Bonds6

About N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-4-methoxybenzenesulfonamide

N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-4-methoxybenzenesulfonamide (PubChem CID 20975136) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-4-methoxybenzenesulfonamide
PubChem CID20975136
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC NameN-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)cc1
InChIInChI=1S/C24H22N2O4S/c1-16-4-13-22(17(2)14-16)23-15-30-24(25-23)18-5-7-19(8-6-18)26-31(27,28)21-11-9-20(29-3)10-12-21/h4-15,26H,1-3H3
InChIKeyWHOZKTDYKUHCIJ-UHFFFAOYSA-N
XLogP5.43
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.52
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-methoxybenzenesulfonamide
CID 46390297
1-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-(4-methylphenyl)urea
CID 50835614
1-(3,4-dimethoxyphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 46392853
4-methoxy-N-[4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 66714466
1-(3-acetylphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 46392854
1-(1,3-benzodioxol-5-yl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 46392869
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43880325
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
2-(4-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
CID 3672707
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-methylbenzenesulfonamide
CID 17092623
1-[4-[4-(2,5-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 46392912

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-4-methoxybenzenesulfonamide (CID 20975136) is N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)cc1.
What is the InChIKey of N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-4-methoxybenzenesulfonamide?
The InChIKey is WHOZKTDYKUHCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-16-4-13-22(17(2)14-16)23-15-30-24(25-23)18-5-7-19(8-6-18)26-31(27,28)21-11-9-20(29-3)10-12-21/h4-15,26H,1-3H3.
What are the key properties of N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-4-methoxybenzenesulfonamide?
N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-4-methoxybenzenesulfonamide has a molecular weight of 434.52 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 20975136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).