4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-phenylbenzenesulfonamide

C23H20N2O3S2 — CID 141185656

IUPAC4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-phenylbenzenesulfonamide
SMILESCc1oc(-c2ccccc2)nc1CSc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H20N2O3S2/c1-17-22(24-23(28-17)18-8-4-2-5-9-18)16-29-20-12-14-21(15-13-20)30(26,27)25-19-10-6-3-7-11-19/h2-15,25H,16H2,1H3
InChIKeyHSUXEQQCOXGIDG-UHFFFAOYSA-N
MW436.56 g/mol
LogP5.74
Rot. Bonds7

About 4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-phenylbenzenesulfonamide

4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-phenylbenzenesulfonamide (PubChem CID 141185656) has the molecular formula C23H20N2O3S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-phenylbenzenesulfonamide
PubChem CID141185656
Molecular FormulaC23H20N2O3S2
Molecular Weight436.56 g/mol
Exact Mass436.09
IUPAC Name4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-phenylbenzenesulfonamide
SMILESCc1oc(-c2ccccc2)nc1CSc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H20N2O3S2/c1-17-22(24-23(28-17)18-8-4-2-5-9-18)16-29-20-12-14-21(15-13-20)30(26,27)25-19-10-6-3-7-11-19/h2-15,25H,16H2,1H3
InChIKeyHSUXEQQCOXGIDG-UHFFFAOYSA-N
XLogP5.74
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-phenylbenzenesulfonamide?
The IUPAC name of 4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-phenylbenzenesulfonamide (CID 141185656) is 4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-phenylbenzenesulfonamide is Cc1oc(-c2ccccc2)nc1CSc1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-phenylbenzenesulfonamide?
The InChIKey is HSUXEQQCOXGIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S2/c1-17-22(24-23(28-17)18-8-4-2-5-9-18)16-29-20-12-14-21(15-13-20)30(26,27)25-19-10-6-3-7-11-19/h2-15,25H,16H2,1H3.
What are the key properties of 4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-phenylbenzenesulfonamide?
4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-phenylbenzenesulfonamide has a molecular weight of 436.56 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 141185656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).