5-[2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one

C23H18N4O3S — CID 18775192

About 5-[2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one

5-[2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one (PubChem CID 18775192) has the molecular formula C23H18N4O3S and a molecular weight of 430.49 g/mol. Its IUPAC name is 5-[2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one.

Molecular Properties

• Compound Name: 5-[2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one
• PubChem CID: 18775192
• Molecular Formula: C23H18N4O3S
• Molecular Weight: 430.49 g/mol
• Exact Mass: 430.11
• IUPAC Name: 5-[2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one
• SMILES: O=C1Cc2cc(C(=O)CSc3nnc(-c4ccco4)n3Cc3ccccc3)ccc2N1
• InChI: InChI=1S/C23H18N4O3S/c28-19(16-8-9-18-17(11-16)12-21(29)24-18)14-31-23-26-25-22(20-7-4-10-30-20)27(23)13-15-5-2-1-3-6-15/h1-11H,12-14H2,(H,24,29)
• InChIKey: FWTIYVOJYYECAQ-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 90.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.49
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one?

The IUPAC name of 5-[2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one (CID 18775192) is 5-[2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one.

What is the SMILES notation for 5-[2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one?

The canonical SMILES for 5-[2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(C(=O)CSc3nnc(-c4ccco4)n3Cc3ccccc3)ccc2N1.

What is the InChIKey of 5-[2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one?

The InChIKey is FWTIYVOJYYECAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3S/c28-19(16-8-9-18-17(11-16)12-21(29)24-18)14-31-23-26-25-22(20-7-4-10-30-20)27(23)13-15-5-2-1-3-6-15/h1-11H,12-14H2,(H,24,29).

What are the key properties of 5-[2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one?

5-[2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one has a molecular weight of 430.49 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 18775192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).