4-methyl-N-[naphthalen-2-yl-[(4R)-5-oxo-2-phenyl-4-propan-2-yl-1,3-oxazol-4-yl]methyl]benzenesulfonamide

C30H28N2O4S — CID 102173782

About 4-methyl-N-[naphthalen-2-yl-[(4R)-5-oxo-2-phenyl-4-propan-2-yl-1,3-oxazol-4-yl]methyl]benzenesulfonamide

4-methyl-N-[naphthalen-2-yl-[(4R)-5-oxo-2-phenyl-4-propan-2-yl-1,3-oxazol-4-yl]methyl]benzenesulfonamide (PubChem CID 102173782) has the molecular formula C30H28N2O4S and a molecular weight of 512.63 g/mol. Its IUPAC name is 4-methyl-N-[naphthalen-2-yl-[(4R)-5-oxo-2-phenyl-4-propan-2-yl-1,3-oxazol-4-yl]methyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-methyl-N-[naphthalen-2-yl-[(4R)-5-oxo-2-phenyl-4-propan-2-yl-1,3-oxazol-4-yl]methyl]benzenesulfonamide
• PubChem CID: 102173782
• Molecular Formula: C30H28N2O4S
• Molecular Weight: 512.63 g/mol
• Exact Mass: 512.18
• IUPAC Name: 4-methyl-N-[naphthalen-2-yl-[(4R)-5-oxo-2-phenyl-4-propan-2-yl-1,3-oxazol-4-yl]methyl]benzenesulfonamide
• SMILES: Cc1ccc(S(=O)(=O)NC(c2ccc3ccccc3c2)[C@@]2(C(C)C)N=C(c3ccccc3)OC2=O)cc1
• InChI: InChI=1S/C30H28N2O4S/c1-20(2)30(29(33)36-28(31-30)23-10-5-4-6-11-23)27(25-16-15-22-9-7-8-12-24(22)19-25)32-37(34,35)26-17-13-21(3)14-18-26/h4-20,27,32H,1-3H3/t27?,30-/m1/s1
• InChIKey: FWCBSUAONVIJQX-DINWUYGQSA-N
• XLogP: 5.57
• TPSA: 84.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.63
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[naphthalen-2-yl-[(4R)-5-oxo-2-phenyl-4-propan-2-yl-1,3-oxazol-4-yl]methyl]benzenesulfonamide?

The IUPAC name of 4-methyl-N-[naphthalen-2-yl-[(4R)-5-oxo-2-phenyl-4-propan-2-yl-1,3-oxazol-4-yl]methyl]benzenesulfonamide (CID 102173782) is 4-methyl-N-[naphthalen-2-yl-[(4R)-5-oxo-2-phenyl-4-propan-2-yl-1,3-oxazol-4-yl]methyl]benzenesulfonamide.

What is the SMILES notation for 4-methyl-N-[naphthalen-2-yl-[(4R)-5-oxo-2-phenyl-4-propan-2-yl-1,3-oxazol-4-yl]methyl]benzenesulfonamide?

The canonical SMILES for 4-methyl-N-[naphthalen-2-yl-[(4R)-5-oxo-2-phenyl-4-propan-2-yl-1,3-oxazol-4-yl]methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(c2ccc3ccccc3c2)[C@@]2(C(C)C)N=C(c3ccccc3)OC2=O)cc1.

What is the InChIKey of 4-methyl-N-[naphthalen-2-yl-[(4R)-5-oxo-2-phenyl-4-propan-2-yl-1,3-oxazol-4-yl]methyl]benzenesulfonamide?

The InChIKey is FWCBSUAONVIJQX-DINWUYGQSA-N. The full InChI is InChI=1S/C30H28N2O4S/c1-20(2)30(29(33)36-28(31-30)23-10-5-4-6-11-23)27(25-16-15-22-9-7-8-12-24(22)19-25)32-37(34,35)26-17-13-21(3)14-18-26/h4-20,27,32H,1-3H3/t27?,30-/m1/s1.

What are the key properties of 4-methyl-N-[naphthalen-2-yl-[(4R)-5-oxo-2-phenyl-4-propan-2-yl-1,3-oxazol-4-yl]methyl]benzenesulfonamide?

4-methyl-N-[naphthalen-2-yl-[(4R)-5-oxo-2-phenyl-4-propan-2-yl-1,3-oxazol-4-yl]methyl]benzenesulfonamide has a molecular weight of 512.63 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[naphthalen-2-yl-[(4R)-5-oxo-2-phenyl-4-propan-2-yl-1,3-oxazol-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 102173782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).