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

C24H22N2O4S — CID 46390297

IUPACN-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)c1
InChIInChI=1S/C24H22N2O4S/c1-16-7-12-22(17(2)13-16)23-15-30-24(25-23)18-8-10-19(11-9-18)26-31(27,28)21-6-4-5-20(14-21)29-3/h4-15,26H,1-3H3
InChIKeyMYLLBKKPSCDDLI-UHFFFAOYSA-N
MW434.52 g/mol
LogP5.43
Rot. Bonds6

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

N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-methoxybenzenesulfonamide (PubChem CID 46390297) 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]-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-methoxybenzenesulfonamide
PubChem CID46390297
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC NameN-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)c1
InChIInChI=1S/C24H22N2O4S/c1-16-7-12-22(17(2)13-16)23-15-30-24(25-23)18-8-10-19(11-9-18)26-31(27,28)21-6-4-5-20(14-21)29-3/h4-15,26H,1-3H3
InChIKeyMYLLBKKPSCDDLI-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]-4-methoxybenzenesulfonamide
CID 20975136
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
3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 46392639
3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782
1-(3-acetylphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 46392854
3-methoxy-N-[7-[(3-methoxyphenyl)sulfonylamino]-9-oxofluoren-2-yl]benzenesulfonamide
CID 10437549
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-methylbenzenesulfonamide
CID 17092623
N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide
CID 50823114
1-[4-[4-(2,5-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 46392912
N-[4-[(4-methoxyphenyl)methylamino]phenyl]-3-methylbenzenesulfonamide
CID 112982764
1-(1,3-benzodioxol-5-yl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 46392869

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-methoxybenzenesulfonamide?
The IUPAC name of N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-methoxybenzenesulfonamide (CID 46390297) is N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-methoxybenzenesulfonamide?
The canonical SMILES for N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)c1.
What is the InChIKey of N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-methoxybenzenesulfonamide?
The InChIKey is MYLLBKKPSCDDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-16-7-12-22(17(2)13-16)23-15-30-24(25-23)18-8-10-19(11-9-18)26-31(27,28)21-6-4-5-20(14-21)29-3/h4-15,26H,1-3H3.
What are the key properties of N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-methoxybenzenesulfonamide?
N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-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]-3-methoxybenzenesulfonamide is sourced from PubChem (CID 46390297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).