3-[5-(2-fluorophenyl)furan-2-yl]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide

C25H26FN3O4S — CID 24505922

About 3-[5-(2-fluorophenyl)furan-2-yl]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide

3-[5-(2-fluorophenyl)furan-2-yl]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide (PubChem CID 24505922) has the molecular formula C25H26FN3O4S and a molecular weight of 483.57 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)furan-2-yl]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

• Compound Name: 3-[5-(2-fluorophenyl)furan-2-yl]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide
• PubChem CID: 24505922
• Molecular Formula: C25H26FN3O4S
• Molecular Weight: 483.57 g/mol
• Exact Mass: 483.16
• IUPAC Name: 3-[5-(2-fluorophenyl)furan-2-yl]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide
• SMILES: O=C(CCc1ccc(-c2ccccc2F)o1)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1
• InChI: InChI=1S/C25H26FN3O4S/c26-22-10-4-3-9-21(22)23-14-12-19(33-23)13-15-25(30)28-18-7-6-8-20(17-18)34(31,32)29-24-11-2-1-5-16-27-24/h3-4,6-10,12,14,17H,1-2,5,11,13,15-16H2,(H,27,29)(H,28,30)
• InChIKey: WRFJFEASPALAGI-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 100.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.57
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide?

The IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide (CID 24505922) is 3-[5-(2-fluorophenyl)furan-2-yl]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide.

What is the SMILES notation for 3-[5-(2-fluorophenyl)furan-2-yl]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide?

The canonical SMILES for 3-[5-(2-fluorophenyl)furan-2-yl]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide is O=C(CCc1ccc(-c2ccccc2F)o1)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1.

What is the InChIKey of 3-[5-(2-fluorophenyl)furan-2-yl]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide?

The InChIKey is WRFJFEASPALAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O4S/c26-22-10-4-3-9-21(22)23-14-12-19(33-23)13-15-25(30)28-18-7-6-8-20(17-18)34(31,32)29-24-11-2-1-5-16-27-24/h3-4,6-10,12,14,17H,1-2,5,11,13,15-16H2,(H,27,29)(H,28,30).

What are the key properties of 3-[5-(2-fluorophenyl)furan-2-yl]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide?

3-[5-(2-fluorophenyl)furan-2-yl]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide has a molecular weight of 483.57 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(2-fluorophenyl)furan-2-yl]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 24505922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).