4-chloro-N-(3-methoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide

C25H27ClN2O4S2 — CID 3932524

About 4-chloro-N-(3-methoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide

4-chloro-N-(3-methoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide (PubChem CID 3932524) has the molecular formula C25H27ClN2O4S2 and a molecular weight of 519.09 g/mol. Its IUPAC name is 4-chloro-N-(3-methoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-chloro-N-(3-methoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide
• PubChem CID: 3932524
• Molecular Formula: C25H27ClN2O4S2
• Molecular Weight: 519.09 g/mol
• Exact Mass: 518.11
• IUPAC Name: 4-chloro-N-(3-methoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide
• SMILES: COCCCN(CC(=O)N1CCc2sccc2C1c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
• InChI: InChI=1S/C25H27ClN2O4S2/c1-32-16-5-14-27(34(30,31)21-10-8-20(26)9-11-21)18-24(29)28-15-12-23-22(13-17-33-23)25(28)19-6-3-2-4-7-19/h2-4,6-11,13,17,25H,5,12,14-16,18H2,1H3
• InChIKey: RAXGDSSTKJNGOO-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 66.92 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.09
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide?

The IUPAC name of 4-chloro-N-(3-methoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide (CID 3932524) is 4-chloro-N-(3-methoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide.

What is the SMILES notation for 4-chloro-N-(3-methoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide?

The canonical SMILES for 4-chloro-N-(3-methoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide is COCCCN(CC(=O)N1CCc2sccc2C1c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1.

What is the InChIKey of 4-chloro-N-(3-methoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide?

The InChIKey is RAXGDSSTKJNGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O4S2/c1-32-16-5-14-27(34(30,31)21-10-8-20(26)9-11-21)18-24(29)28-15-12-23-22(13-17-33-23)25(28)19-6-3-2-4-7-19/h2-4,6-11,13,17,25H,5,12,14-16,18H2,1H3.

What are the key properties of 4-chloro-N-(3-methoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide?

4-chloro-N-(3-methoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide has a molecular weight of 519.09 g/mol, XLogP of 4.60, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-(3-methoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 3932524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).