N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

C25H22N2O5S — CID 112826396

About N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (PubChem CID 112826396) has the molecular formula C25H22N2O5S and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
• PubChem CID: 112826396
• Molecular Formula: C25H22N2O5S
• Molecular Weight: 462.53 g/mol
• Exact Mass: 462.12
• IUPAC Name: N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
• SMILES: O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1ccc(COc2ccc3ccccc3c2)o1
• InChI: InChI=1S/C25H22N2O5S/c28-25(26-20-7-3-8-21(16-20)27-13-4-14-33(27,29)30)24-12-11-23(32-24)17-31-22-10-9-18-5-1-2-6-19(18)15-22/h1-3,5-12,15-16H,4,13-14,17H2,(H,26,28)
• InChIKey: PCXJQGWVZPYHGF-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 88.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.53
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?

The IUPAC name of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (CID 112826396) is N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.

What is the SMILES notation for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?

The canonical SMILES for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1ccc(COc2ccc3ccccc3c2)o1.

What is the InChIKey of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?

The InChIKey is PCXJQGWVZPYHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5S/c28-25(26-20-7-3-8-21(16-20)27-13-4-14-33(27,29)30)24-12-11-23(32-24)17-31-22-10-9-18-5-1-2-6-19(18)15-22/h1-3,5-12,15-16H,4,13-14,17H2,(H,26,28).

What are the key properties of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?

N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is sourced from PubChem (CID 112826396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).