4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide

C26H24N2O3S — CID 171679381

IUPAC4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide
SMILESCc1onc(-c2ccccc2)c1-c1ccc(S(=O)(=O)NC2CCc3ccccc3C2)cc1
InChIInChI=1S/C26H24N2O3S/c1-18-25(26(27-31-18)21-8-3-2-4-9-21)20-12-15-24(16-13-20)32(29,30)28-23-14-11-19-7-5-6-10-22(19)17-23/h2-10,12-13,15-16,23,28H,11,14,17H2,1H3
InChIKeyYKRJXHHACKLXCY-UHFFFAOYSA-N
MW444.56 g/mol
LogP5.15
Rot. Bonds5

About 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide

4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide (PubChem CID 171679381) has the molecular formula C26H24N2O3S and a molecular weight of 444.56 g/mol. Its IUPAC name is 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide
PubChem CID171679381
Molecular FormulaC26H24N2O3S
Molecular Weight444.56 g/mol
Exact Mass444.15
IUPAC Name4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide
SMILESCc1onc(-c2ccccc2)c1-c1ccc(S(=O)(=O)NC2CCc3ccccc3C2)cc1
InChIInChI=1S/C26H24N2O3S/c1-18-25(26(27-31-18)21-8-3-2-4-9-21)20-12-15-24(16-13-20)32(29,30)28-23-14-11-19-7-5-6-10-22(19)17-23/h2-10,12-13,15-16,23,28H,11,14,17H2,1H3
InChIKeyYKRJXHHACKLXCY-UHFFFAOYSA-N
XLogP5.15
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.56
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide?
The IUPAC name of 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide (CID 171679381) is 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide is Cc1onc(-c2ccccc2)c1-c1ccc(S(=O)(=O)NC2CCc3ccccc3C2)cc1.
What is the InChIKey of 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide?
The InChIKey is YKRJXHHACKLXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3S/c1-18-25(26(27-31-18)21-8-3-2-4-9-21)20-12-15-24(16-13-20)32(29,30)28-23-14-11-19-7-5-6-10-22(19)17-23/h2-10,12-13,15-16,23,28H,11,14,17H2,1H3.
What are the key properties of 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide?
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide has a molecular weight of 444.56 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide is sourced from PubChem (CID 171679381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).