3-cyclopentyl-2-[4-[ethyl(methoxy)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide

C24H30N4O5S2 — CID 87236215

About 3-cyclopentyl-2-[4-[ethyl(methoxy)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide

3-cyclopentyl-2-[4-[ethyl(methoxy)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide (PubChem CID 87236215) has the molecular formula C24H30N4O5S2 and a molecular weight of 518.66 g/mol. Its IUPAC name is 3-cyclopentyl-2-[4-[ethyl(methoxy)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide.

Molecular Properties

• Compound Name: 3-cyclopentyl-2-[4-[ethyl(methoxy)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
• PubChem CID: 87236215
• Molecular Formula: C24H30N4O5S2
• Molecular Weight: 518.66 g/mol
• Exact Mass: 518.17
• IUPAC Name: 3-cyclopentyl-2-[4-[ethyl(methoxy)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
• SMILES: CCN(OC)S(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nc3ccc(OC)nc3s2)cc1
• InChI: InChI=1S/C24H30N4O5S2/c1-4-28(33-3)35(30,31)18-11-9-17(10-12-18)19(15-16-7-5-6-8-16)22(29)27-24-25-20-13-14-21(32-2)26-23(20)34-24/h9-14,16,19H,4-8,15H2,1-3H3,(H,25,27,29)
• InChIKey: ZZMVDVFUHHPNCR-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 110.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.66
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[4-[ethyl(methoxy)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?

The IUPAC name of 3-cyclopentyl-2-[4-[ethyl(methoxy)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide (CID 87236215) is 3-cyclopentyl-2-[4-[ethyl(methoxy)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide.

What is the SMILES notation for 3-cyclopentyl-2-[4-[ethyl(methoxy)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?

The canonical SMILES for 3-cyclopentyl-2-[4-[ethyl(methoxy)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide is CCN(OC)S(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nc3ccc(OC)nc3s2)cc1.

What is the InChIKey of 3-cyclopentyl-2-[4-[ethyl(methoxy)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?

The InChIKey is ZZMVDVFUHHPNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5S2/c1-4-28(33-3)35(30,31)18-11-9-17(10-12-18)19(15-16-7-5-6-8-16)22(29)27-24-25-20-13-14-21(32-2)26-23(20)34-24/h9-14,16,19H,4-8,15H2,1-3H3,(H,25,27,29).

What are the key properties of 3-cyclopentyl-2-[4-[ethyl(methoxy)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?

3-cyclopentyl-2-[4-[ethyl(methoxy)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide has a molecular weight of 518.66 g/mol, XLogP of 4.57, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-2-[4-[ethyl(methoxy)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide is sourced from PubChem (CID 87236215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).