N-[5-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

C20H17ClN2O5S — CID 55512143

About N-[5-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 55512143) has the molecular formula C20H17ClN2O5S and a molecular weight of 432.89 g/mol. Its IUPAC name is N-[5-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
• PubChem CID: 55512143
• Molecular Formula: C20H17ClN2O5S
• Molecular Weight: 432.89 g/mol
• Exact Mass: 432.05
• IUPAC Name: N-[5-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
• SMILES: O=C(Nc1ccc(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)s1)c1ccco1
• InChI: InChI=1S/C20H17ClN2O5S/c21-13-10-12(11-15-18(13)28-9-8-27-15)5-6-22-20(25)16-3-4-17(29-16)23-19(24)14-2-1-7-26-14/h1-4,7,10-11H,5-6,8-9H2,(H,22,25)(H,23,24)
• InChIKey: JKYXAFKDVVFPFV-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 89.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.89
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?

The IUPAC name of N-[5-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 55512143) is N-[5-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[5-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[5-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is O=C(Nc1ccc(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)s1)c1ccco1.

What is the InChIKey of N-[5-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?

The InChIKey is JKYXAFKDVVFPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O5S/c21-13-10-12(11-15-18(13)28-9-8-27-15)5-6-22-20(25)16-3-4-17(29-16)23-19(24)14-2-1-7-26-14/h1-4,7,10-11H,5-6,8-9H2,(H,22,25)(H,23,24).

What are the key properties of N-[5-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?

N-[5-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 432.89 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55512143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).