2-O-ethyl 4-O-methyl 3-methyl-5-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate

C26H23NO7S — CID 19412857

About 2-O-ethyl 4-O-methyl 3-methyl-5-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate

2-O-ethyl 4-O-methyl 3-methyl-5-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate (PubChem CID 19412857) has the molecular formula C26H23NO7S and a molecular weight of 493.54 g/mol. Its IUPAC name is 2-O-ethyl 4-O-methyl 3-methyl-5-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate.

Molecular Properties

• Compound Name: 2-O-ethyl 4-O-methyl 3-methyl-5-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate
• PubChem CID: 19412857
• Molecular Formula: C26H23NO7S
• Molecular Weight: 493.54 g/mol
• Exact Mass: 493.12
• IUPAC Name: 2-O-ethyl 4-O-methyl 3-methyl-5-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate
• SMILES: CCOC(=O)c1sc(NC(=O)c2ccc(COc3cccc4ccccc34)o2)c(C(=O)OC)c1C
• InChI: InChI=1S/C26H23NO7S/c1-4-32-26(30)22-15(2)21(25(29)31-3)24(35-22)27-23(28)20-13-12-17(34-20)14-33-19-11-7-9-16-8-5-6-10-18(16)19/h5-13H,4,14H2,1-3H3,(H,27,28)
• InChIKey: QJZVSLCPDBGAHT-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 104.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.54
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-O-ethyl 4-O-methyl 3-methyl-5-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate?

The IUPAC name of 2-O-ethyl 4-O-methyl 3-methyl-5-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate (CID 19412857) is 2-O-ethyl 4-O-methyl 3-methyl-5-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate.

What is the SMILES notation for 2-O-ethyl 4-O-methyl 3-methyl-5-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate?

The canonical SMILES for 2-O-ethyl 4-O-methyl 3-methyl-5-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate is CCOC(=O)c1sc(NC(=O)c2ccc(COc3cccc4ccccc34)o2)c(C(=O)OC)c1C.

What is the InChIKey of 2-O-ethyl 4-O-methyl 3-methyl-5-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate?

The InChIKey is QJZVSLCPDBGAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO7S/c1-4-32-26(30)22-15(2)21(25(29)31-3)24(35-22)27-23(28)20-13-12-17(34-20)14-33-19-11-7-9-16-8-5-6-10-18(16)19/h5-13H,4,14H2,1-3H3,(H,27,28).

What are the key properties of 2-O-ethyl 4-O-methyl 3-methyl-5-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate?

2-O-ethyl 4-O-methyl 3-methyl-5-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate has a molecular weight of 493.54 g/mol, XLogP of 5.60, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-O-ethyl 4-O-methyl 3-methyl-5-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate is sourced from PubChem (CID 19412857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).