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

C30H39N5O4S2 — CID 11642856

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

3-cyclopentyl-2-[4-[cyclopropyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide (PubChem CID 11642856) has the molecular formula C30H39N5O4S2 and a molecular weight of 597.81 g/mol. Its IUPAC name is 3-cyclopentyl-2-[4-[cyclopropyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide.

Molecular Properties

• Compound Name: 3-cyclopentyl-2-[4-[cyclopropyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
• PubChem CID: 11642856
• Molecular Formula: C30H39N5O4S2
• Molecular Weight: 597.81 g/mol
• Exact Mass: 597.24
• IUPAC Name: 3-cyclopentyl-2-[4-[cyclopropyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
• SMILES: COc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)N(C4CC4)C4CCN(C)CC4)cc3)sc2n1
• InChI: InChI=1S/C30H39N5O4S2/c1-34-17-15-23(16-18-34)35(22-9-10-22)41(37,38)24-11-7-21(8-12-24)25(19-20-5-3-4-6-20)28(36)33-30-31-26-13-14-27(39-2)32-29(26)40-30/h7-8,11-14,20,22-23,25H,3-6,9-10,15-19H2,1-2H3,(H,31,33,36)
• InChIKey: XTNMGGDFHJEEDM-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 104.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.81
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-cyclopentyl-2-[4-[cyclopropyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide (CID 11642856) is 3-cyclopentyl-2-[4-[cyclopropyl-(1-methylpiperidin-4-yl)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-[cyclopropyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?

The canonical SMILES for 3-cyclopentyl-2-[4-[cyclopropyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide is COc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)N(C4CC4)C4CCN(C)CC4)cc3)sc2n1.

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

The InChIKey is XTNMGGDFHJEEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5O4S2/c1-34-17-15-23(16-18-34)35(22-9-10-22)41(37,38)24-11-7-21(8-12-24)25(19-20-5-3-4-6-20)28(36)33-30-31-26-13-14-27(39-2)32-29(26)40-30/h7-8,11-14,20,22-23,25H,3-6,9-10,15-19H2,1-2H3,(H,31,33,36).

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

3-cyclopentyl-2-[4-[cyclopropyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide has a molecular weight of 597.81 g/mol, XLogP of 5.25, 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-[cyclopropyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide is sourced from PubChem (CID 11642856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).