5-(cyclobutanecarbonyl)-N-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide

C19H21FN2O3S2 — CID 53156406

About 5-(cyclobutanecarbonyl)-N-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide

5-(cyclobutanecarbonyl)-N-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (PubChem CID 53156406) has the molecular formula C19H21FN2O3S2 and a molecular weight of 408.52 g/mol. Its IUPAC name is 5-(cyclobutanecarbonyl)-N-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.

Molecular Properties

• Compound Name: 5-(cyclobutanecarbonyl)-N-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
• PubChem CID: 53156406
• Molecular Formula: C19H21FN2O3S2
• Molecular Weight: 408.52 g/mol
• Exact Mass: 408.10
• IUPAC Name: 5-(cyclobutanecarbonyl)-N-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
• SMILES: O=C(C1CCC1)N1CCc2sc(S(=O)(=O)NCc3ccc(F)cc3)cc2C1
• InChI: InChI=1S/C19H21FN2O3S2/c20-16-6-4-13(5-7-16)11-21-27(24,25)18-10-15-12-22(9-8-17(15)26-18)19(23)14-2-1-3-14/h4-7,10,14,21H,1-3,8-9,11-12H2
• InChIKey: WOBHNWLKOIKZTM-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.52
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutanecarbonyl)-N-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?

The IUPAC name of 5-(cyclobutanecarbonyl)-N-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (CID 53156406) is 5-(cyclobutanecarbonyl)-N-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.

What is the SMILES notation for 5-(cyclobutanecarbonyl)-N-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?

The canonical SMILES for 5-(cyclobutanecarbonyl)-N-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is O=C(C1CCC1)N1CCc2sc(S(=O)(=O)NCc3ccc(F)cc3)cc2C1.

What is the InChIKey of 5-(cyclobutanecarbonyl)-N-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?

The InChIKey is WOBHNWLKOIKZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S2/c20-16-6-4-13(5-7-16)11-21-27(24,25)18-10-15-12-22(9-8-17(15)26-18)19(23)14-2-1-3-14/h4-7,10,14,21H,1-3,8-9,11-12H2.

What are the key properties of 5-(cyclobutanecarbonyl)-N-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?

5-(cyclobutanecarbonyl)-N-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide has a molecular weight of 408.52 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(cyclobutanecarbonyl)-N-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is sourced from PubChem (CID 53156406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).