3-cyclopentyl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide

C32H37N5O5S2 — CID 11563619

About 3-cyclopentyl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide

3-cyclopentyl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide (PubChem CID 11563619) has the molecular formula C32H37N5O5S2 and a molecular weight of 635.81 g/mol. Its IUPAC name is 3-cyclopentyl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide.

Molecular Properties

• Compound Name: 3-cyclopentyl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
• PubChem CID: 11563619
• Molecular Formula: C32H37N5O5S2
• Molecular Weight: 635.81 g/mol
• Exact Mass: 635.22
• IUPAC Name: 3-cyclopentyl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
• SMILES: COc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)N4CCN(c5ccccc5OC)CC4)cc3)sc2n1
• InChI: InChI=1S/C32H37N5O5S2/c1-41-28-10-6-5-9-27(28)36-17-19-37(20-18-36)44(39,40)24-13-11-23(12-14-24)25(21-22-7-3-4-8-22)30(38)35-32-33-26-15-16-29(42-2)34-31(26)43-32/h5-6,9-16,22,25H,3-4,7-8,17-21H2,1-2H3,(H,33,35,38)
• InChIKey: RBXWEMXBINYUCS-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 113.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	635.81
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 3-cyclopentyl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide (CID 11563619) is 3-cyclopentyl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide.

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

The canonical SMILES for 3-cyclopentyl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide is COc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)N4CCN(c5ccccc5OC)CC4)cc3)sc2n1.

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

The InChIKey is RBXWEMXBINYUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O5S2/c1-41-28-10-6-5-9-27(28)36-17-19-37(20-18-36)44(39,40)24-13-11-23(12-14-24)25(21-22-7-3-4-8-22)30(38)35-32-33-26-15-16-29(42-2)34-31(26)43-32/h5-6,9-16,22,25H,3-4,7-8,17-21H2,1-2H3,(H,33,35,38).

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

3-cyclopentyl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide has a molecular weight of 635.81 g/mol, XLogP of 5.52, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide is sourced from PubChem (CID 11563619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).