N-(2-methoxy-5-methylphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide

C27H26N2O5S — CID 46277759

About N-(2-methoxy-5-methylphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide

N-(2-methoxy-5-methylphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide (PubChem CID 46277759) has the molecular formula C27H26N2O5S and a molecular weight of 490.58 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide.

Molecular Properties

• Compound Name: N-(2-methoxy-5-methylphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide
• PubChem CID: 46277759
• Molecular Formula: C27H26N2O5S
• Molecular Weight: 490.58 g/mol
• Exact Mass: 490.16
• IUPAC Name: N-(2-methoxy-5-methylphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide
• SMILES: COc1ccc(C)cc1NC(=O)c1ccc(-c2nc(CS(=O)(=O)c3ccc(C)cc3)c(C)o2)cc1
• InChI: InChI=1S/C27H26N2O5S/c1-17-5-12-22(13-6-17)35(31,32)16-24-19(3)34-27(29-24)21-10-8-20(9-11-21)26(30)28-23-15-18(2)7-14-25(23)33-4/h5-15H,16H2,1-4H3,(H,28,30)
• InChIKey: PRBKUSKDVGSZMY-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 98.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.58
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide?

The IUPAC name of N-(2-methoxy-5-methylphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide (CID 46277759) is N-(2-methoxy-5-methylphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide.

What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide?

The canonical SMILES for N-(2-methoxy-5-methylphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide is COc1ccc(C)cc1NC(=O)c1ccc(-c2nc(CS(=O)(=O)c3ccc(C)cc3)c(C)o2)cc1.

What is the InChIKey of N-(2-methoxy-5-methylphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide?

The InChIKey is PRBKUSKDVGSZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5S/c1-17-5-12-22(13-6-17)35(31,32)16-24-19(3)34-27(29-24)21-10-8-20(9-11-21)26(30)28-23-15-18(2)7-14-25(23)33-4/h5-15H,16H2,1-4H3,(H,28,30).

What are the key properties of N-(2-methoxy-5-methylphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide?

N-(2-methoxy-5-methylphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide has a molecular weight of 490.58 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxy-5-methylphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 46277759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).