2-[1-[(2-fluoro-3-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C22H20FN3O4S — CID 148746404

About 2-[1-[(2-fluoro-3-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[1-[(2-fluoro-3-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 148746404) has the molecular formula C22H20FN3O4S and a molecular weight of 441.48 g/mol. Its IUPAC name is 2-[1-[(2-fluoro-3-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-[1-[(2-fluoro-3-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• PubChem CID: 148746404
• Molecular Formula: C22H20FN3O4S
• Molecular Weight: 441.48 g/mol
• Exact Mass: 441.12
• IUPAC Name: 2-[1-[(2-fluoro-3-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• SMILES: Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(C)c3F)c3ccccc23)no1
• InChI: InChI=1S/C22H20FN3O4S/c1-14-6-5-7-16(22(14)23)11-26-12-19(17-8-3-4-9-18(17)26)31(28,29)13-21(27)24-20-10-15(2)30-25-20/h3-10,12H,11,13H2,1-2H3,(H,24,25,27)
• InChIKey: ODVOHUNUXAMZKD-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 94.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.48
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluoro-3-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The IUPAC name of 2-[1-[(2-fluoro-3-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 148746404) is 2-[1-[(2-fluoro-3-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

What is the SMILES notation for 2-[1-[(2-fluoro-3-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The canonical SMILES for 2-[1-[(2-fluoro-3-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(C)c3F)c3ccccc23)no1.

What is the InChIKey of 2-[1-[(2-fluoro-3-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The InChIKey is ODVOHUNUXAMZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O4S/c1-14-6-5-7-16(22(14)23)11-26-12-19(17-8-3-4-9-18(17)26)31(28,29)13-21(27)24-20-10-15(2)30-25-20/h3-10,12H,11,13H2,1-2H3,(H,24,25,27).

What are the key properties of 2-[1-[(2-fluoro-3-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

2-[1-[(2-fluoro-3-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 441.48 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(2-fluoro-3-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 148746404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).