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

C27H36N4O4S2 — CID 11599178

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

3-cyclopentyl-2-[4-[di(propan-2-yl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide (PubChem CID 11599178) has the molecular formula C27H36N4O4S2 and a molecular weight of 544.74 g/mol. Its IUPAC name is 3-cyclopentyl-2-[4-[di(propan-2-yl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide.

Molecular Properties

• Compound Name: 3-cyclopentyl-2-[4-[di(propan-2-yl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
• PubChem CID: 11599178
• Molecular Formula: C27H36N4O4S2
• Molecular Weight: 544.74 g/mol
• Exact Mass: 544.22
• IUPAC Name: 3-cyclopentyl-2-[4-[di(propan-2-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(C(C)C)C(C)C)cc3)sc2n1
• InChI: InChI=1S/C27H36N4O4S2/c1-17(2)31(18(3)4)37(33,34)21-12-10-20(11-13-21)22(16-19-8-6-7-9-19)25(32)30-27-28-23-14-15-24(35-5)29-26(23)36-27/h10-15,17-19,22H,6-9,16H2,1-5H3,(H,28,30,32)
• InChIKey: FDTXHXNLSXQYKA-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 101.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.74
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-cyclopentyl-2-[4-[di(propan-2-yl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide (CID 11599178) is 3-cyclopentyl-2-[4-[di(propan-2-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-[di(propan-2-yl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?

The canonical SMILES for 3-cyclopentyl-2-[4-[di(propan-2-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(C(C)C)C(C)C)cc3)sc2n1.

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

The InChIKey is FDTXHXNLSXQYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O4S2/c1-17(2)31(18(3)4)37(33,34)21-12-10-20(11-13-21)22(16-19-8-6-7-9-19)25(32)30-27-28-23-14-15-24(35-5)29-26(23)36-27/h10-15,17-19,22H,6-9,16H2,1-5H3,(H,28,30,32).

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

3-cyclopentyl-2-[4-[di(propan-2-yl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide has a molecular weight of 544.74 g/mol, XLogP of 5.81, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-2-[4-[di(propan-2-yl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide is sourced from PubChem (CID 11599178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).