2-(furan-2-carbonyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

C24H25N3O5S — CID 154834635

About 2-(furan-2-carbonyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

2-(furan-2-carbonyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 154834635) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is 2-(furan-2-carbonyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

• Compound Name: 2-(furan-2-carbonyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
• PubChem CID: 154834635
• Molecular Formula: C24H25N3O5S
• Molecular Weight: 467.55 g/mol
• Exact Mass: 467.15
• IUPAC Name: 2-(furan-2-carbonyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
• SMILES: CNS(=O)(=O)c1cccc(C(C)NC(=O)C2Cc3ccccc3CN2C(=O)c2ccco2)c1
• InChI: InChI=1S/C24H25N3O5S/c1-16(17-9-5-10-20(13-17)33(30,31)25-2)26-23(28)21-14-18-7-3-4-8-19(18)15-27(21)24(29)22-11-6-12-32-22/h3-13,16,21,25H,14-15H2,1-2H3,(H,26,28)
• InChIKey: DAVONBZKNWOPLL-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 108.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.55
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-carbonyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?

The IUPAC name of 2-(furan-2-carbonyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 154834635) is 2-(furan-2-carbonyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide.

What is the SMILES notation for 2-(furan-2-carbonyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?

The canonical SMILES for 2-(furan-2-carbonyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide is CNS(=O)(=O)c1cccc(C(C)NC(=O)C2Cc3ccccc3CN2C(=O)c2ccco2)c1.

What is the InChIKey of 2-(furan-2-carbonyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?

The InChIKey is DAVONBZKNWOPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-16(17-9-5-10-20(13-17)33(30,31)25-2)26-23(28)21-14-18-7-3-4-8-19(18)15-27(21)24(29)22-11-6-12-32-22/h3-13,16,21,25H,14-15H2,1-2H3,(H,26,28).

What are the key properties of 2-(furan-2-carbonyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?

2-(furan-2-carbonyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 467.55 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(furan-2-carbonyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 154834635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).