3-[1-[5-(furan-3-yl)thiophen-2-yl]sulfonyl-5-methoxy-2,3-dihydroindol-3-yl]propanoic acid

C20H19NO6S2 — CID 71213422

About 3-[1-[5-(furan-3-yl)thiophen-2-yl]sulfonyl-5-methoxy-2,3-dihydroindol-3-yl]propanoic acid

3-[1-[5-(furan-3-yl)thiophen-2-yl]sulfonyl-5-methoxy-2,3-dihydroindol-3-yl]propanoic acid (PubChem CID 71213422) has the molecular formula C20H19NO6S2 and a molecular weight of 433.51 g/mol. Its IUPAC name is 3-[1-[5-(furan-3-yl)thiophen-2-yl]sulfonyl-5-methoxy-2,3-dihydroindol-3-yl]propanoic acid.

Molecular Properties

• Compound Name: 3-[1-[5-(furan-3-yl)thiophen-2-yl]sulfonyl-5-methoxy-2,3-dihydroindol-3-yl]propanoic acid
• PubChem CID: 71213422
• Molecular Formula: C20H19NO6S2
• Molecular Weight: 433.51 g/mol
• Exact Mass: 433.07
• IUPAC Name: 3-[1-[5-(furan-3-yl)thiophen-2-yl]sulfonyl-5-methoxy-2,3-dihydroindol-3-yl]propanoic acid
• SMILES: COc1ccc2c(c1)C(CCC(=O)O)CN2S(=O)(=O)c1ccc(-c2ccoc2)s1
• InChI: InChI=1S/C20H19NO6S2/c1-26-15-3-4-17-16(10-15)13(2-6-19(22)23)11-21(17)29(24,25)20-7-5-18(28-20)14-8-9-27-12-14/h3-5,7-10,12-13H,2,6,11H2,1H3,(H,22,23)
• InChIKey: DMNPEQXGRBHHSW-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 97.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.51
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-(furan-3-yl)thiophen-2-yl]sulfonyl-5-methoxy-2,3-dihydroindol-3-yl]propanoic acid?

The IUPAC name of 3-[1-[5-(furan-3-yl)thiophen-2-yl]sulfonyl-5-methoxy-2,3-dihydroindol-3-yl]propanoic acid (CID 71213422) is 3-[1-[5-(furan-3-yl)thiophen-2-yl]sulfonyl-5-methoxy-2,3-dihydroindol-3-yl]propanoic acid.

What is the SMILES notation for 3-[1-[5-(furan-3-yl)thiophen-2-yl]sulfonyl-5-methoxy-2,3-dihydroindol-3-yl]propanoic acid?

The canonical SMILES for 3-[1-[5-(furan-3-yl)thiophen-2-yl]sulfonyl-5-methoxy-2,3-dihydroindol-3-yl]propanoic acid is COc1ccc2c(c1)C(CCC(=O)O)CN2S(=O)(=O)c1ccc(-c2ccoc2)s1.

What is the InChIKey of 3-[1-[5-(furan-3-yl)thiophen-2-yl]sulfonyl-5-methoxy-2,3-dihydroindol-3-yl]propanoic acid?

The InChIKey is DMNPEQXGRBHHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6S2/c1-26-15-3-4-17-16(10-15)13(2-6-19(22)23)11-21(17)29(24,25)20-7-5-18(28-20)14-8-9-27-12-14/h3-5,7-10,12-13H,2,6,11H2,1H3,(H,22,23).

What are the key properties of 3-[1-[5-(furan-3-yl)thiophen-2-yl]sulfonyl-5-methoxy-2,3-dihydroindol-3-yl]propanoic acid?

3-[1-[5-(furan-3-yl)thiophen-2-yl]sulfonyl-5-methoxy-2,3-dihydroindol-3-yl]propanoic acid has a molecular weight of 433.51 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[5-(furan-3-yl)thiophen-2-yl]sulfonyl-5-methoxy-2,3-dihydroindol-3-yl]propanoic acid is sourced from PubChem (CID 71213422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).