ethyl 2-[[2-[3-(furan-2-carbonylamino)-4-methylbenzoyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate

C25H26N2O7S — CID 3914657

About ethyl 2-[[2-[3-(furan-2-carbonylamino)-4-methylbenzoyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate

ethyl 2-[[2-[3-(furan-2-carbonylamino)-4-methylbenzoyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate (PubChem CID 3914657) has the molecular formula C25H26N2O7S and a molecular weight of 498.56 g/mol. Its IUPAC name is ethyl 2-[[2-[3-(furan-2-carbonylamino)-4-methylbenzoyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-[[2-[3-(furan-2-carbonylamino)-4-methylbenzoyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
• PubChem CID: 3914657
• Molecular Formula: C25H26N2O7S
• Molecular Weight: 498.56 g/mol
• Exact Mass: 498.15
• IUPAC Name: ethyl 2-[[2-[3-(furan-2-carbonylamino)-4-methylbenzoyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
• SMILES: CCOC(=O)c1cc(C(C)C)sc1NC(=O)COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1
• InChI: InChI=1S/C25H26N2O7S/c1-5-32-25(31)17-12-20(14(2)3)35-23(17)27-21(28)13-34-24(30)16-9-8-15(4)18(11-16)26-22(29)19-7-6-10-33-19/h6-12,14H,5,13H2,1-4H3,(H,26,29)(H,27,28)
• InChIKey: WLKQWWBXYORIMV-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 123.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.56
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[3-(furan-2-carbonylamino)-4-methylbenzoyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate?

The IUPAC name of ethyl 2-[[2-[3-(furan-2-carbonylamino)-4-methylbenzoyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate (CID 3914657) is ethyl 2-[[2-[3-(furan-2-carbonylamino)-4-methylbenzoyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate.

What is the SMILES notation for ethyl 2-[[2-[3-(furan-2-carbonylamino)-4-methylbenzoyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate?

The canonical SMILES for ethyl 2-[[2-[3-(furan-2-carbonylamino)-4-methylbenzoyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate is CCOC(=O)c1cc(C(C)C)sc1NC(=O)COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1.

What is the InChIKey of ethyl 2-[[2-[3-(furan-2-carbonylamino)-4-methylbenzoyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate?

The InChIKey is WLKQWWBXYORIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O7S/c1-5-32-25(31)17-12-20(14(2)3)35-23(17)27-21(28)13-34-24(30)16-9-8-15(4)18(11-16)26-22(29)19-7-6-10-33-19/h6-12,14H,5,13H2,1-4H3,(H,26,29)(H,27,28).

What are the key properties of ethyl 2-[[2-[3-(furan-2-carbonylamino)-4-methylbenzoyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate?

ethyl 2-[[2-[3-(furan-2-carbonylamino)-4-methylbenzoyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate has a molecular weight of 498.56 g/mol, XLogP of 5.00, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[[2-[3-(furan-2-carbonylamino)-4-methylbenzoyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate is sourced from PubChem (CID 3914657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).