2-[2-[5-(4-methylsulfonylphenoxy)-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide

C25H27N3O6S2 — CID 66726292

About 2-[2-[5-(4-methylsulfonylphenoxy)-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide

2-[2-[5-(4-methylsulfonylphenoxy)-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide (PubChem CID 66726292) has the molecular formula C25H27N3O6S2 and a molecular weight of 529.64 g/mol. Its IUPAC name is 2-[2-[5-(4-methylsulfonylphenoxy)-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-[2-[5-(4-methylsulfonylphenoxy)-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide
• PubChem CID: 66726292
• Molecular Formula: C25H27N3O6S2
• Molecular Weight: 529.64 g/mol
• Exact Mass: 529.13
• IUPAC Name: 2-[2-[5-(4-methylsulfonylphenoxy)-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide
• SMILES: CS(=O)(=O)c1ccc(Oc2cc(OC3CCOCC3)c3[nH]c(C4=NCC(CC(N)=O)S4)cc3c2)cc1
• InChI: InChI=1S/C25H27N3O6S2/c1-36(30,31)20-4-2-16(3-5-20)33-18-10-15-11-21(25-27-14-19(35-25)13-23(26)29)28-24(15)22(12-18)34-17-6-8-32-9-7-17/h2-5,10-12,17,19,28H,6-9,13-14H2,1H3,(H2,26,29)
• InChIKey: YEARUYARVDVGSM-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 133.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.64
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(4-methylsulfonylphenoxy)-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide?

The IUPAC name of 2-[2-[5-(4-methylsulfonylphenoxy)-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide (CID 66726292) is 2-[2-[5-(4-methylsulfonylphenoxy)-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide.

What is the SMILES notation for 2-[2-[5-(4-methylsulfonylphenoxy)-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide?

The canonical SMILES for 2-[2-[5-(4-methylsulfonylphenoxy)-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide is CS(=O)(=O)c1ccc(Oc2cc(OC3CCOCC3)c3[nH]c(C4=NCC(CC(N)=O)S4)cc3c2)cc1.

What is the InChIKey of 2-[2-[5-(4-methylsulfonylphenoxy)-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide?

The InChIKey is YEARUYARVDVGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6S2/c1-36(30,31)20-4-2-16(3-5-20)33-18-10-15-11-21(25-27-14-19(35-25)13-23(26)29)28-24(15)22(12-18)34-17-6-8-32-9-7-17/h2-5,10-12,17,19,28H,6-9,13-14H2,1H3,(H2,26,29).

What are the key properties of 2-[2-[5-(4-methylsulfonylphenoxy)-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide?

2-[2-[5-(4-methylsulfonylphenoxy)-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide has a molecular weight of 529.64 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[5-(4-methylsulfonylphenoxy)-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 66726292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).