2-[4-(4-methoxy-2-methylbutan-2-yl)sulfonyl-2-oxo-1-pyridinyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide

C26H34N4O7S2 — CID 24961079

About 2-[4-(4-methoxy-2-methylbutan-2-yl)sulfonyl-2-oxo-1-pyridinyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide

2-[4-(4-methoxy-2-methylbutan-2-yl)sulfonyl-2-oxo-1-pyridinyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide (PubChem CID 24961079) has the molecular formula C26H34N4O7S2 and a molecular weight of 578.71 g/mol. Its IUPAC name is 2-[4-(4-methoxy-2-methylbutan-2-yl)sulfonyl-2-oxo-1-pyridinyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide.

Molecular Properties

• Compound Name: 2-[4-(4-methoxy-2-methylbutan-2-yl)sulfonyl-2-oxo-1-pyridinyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide
• PubChem CID: 24961079
• Molecular Formula: C26H34N4O7S2
• Molecular Weight: 578.71 g/mol
• Exact Mass: 578.19
• IUPAC Name: 2-[4-(4-methoxy-2-methylbutan-2-yl)sulfonyl-2-oxo-1-pyridinyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide
• SMILES: COCCC(C)(C)S(=O)(=O)c1ccn(C(CC2CCOCC2)C(=O)Nc2nc3ccc(OC)nc3s2)c(=O)c1
• InChI: InChI=1S/C26H34N4O7S2/c1-26(2,10-14-35-3)39(33,34)18-7-11-30(22(31)16-18)20(15-17-8-12-37-13-9-17)23(32)29-25-27-19-5-6-21(36-4)28-24(19)38-25/h5-7,11,16-17,20H,8-10,12-15H2,1-4H3,(H,27,29,32)
• InChIKey: SRQGLSTYPNZLOB-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 138.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.71
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxy-2-methylbutan-2-yl)sulfonyl-2-oxo-1-pyridinyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide?

The IUPAC name of 2-[4-(4-methoxy-2-methylbutan-2-yl)sulfonyl-2-oxo-1-pyridinyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide (CID 24961079) is 2-[4-(4-methoxy-2-methylbutan-2-yl)sulfonyl-2-oxo-1-pyridinyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide.

What is the SMILES notation for 2-[4-(4-methoxy-2-methylbutan-2-yl)sulfonyl-2-oxo-1-pyridinyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide?

The canonical SMILES for 2-[4-(4-methoxy-2-methylbutan-2-yl)sulfonyl-2-oxo-1-pyridinyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide is COCCC(C)(C)S(=O)(=O)c1ccn(C(CC2CCOCC2)C(=O)Nc2nc3ccc(OC)nc3s2)c(=O)c1.

What is the InChIKey of 2-[4-(4-methoxy-2-methylbutan-2-yl)sulfonyl-2-oxo-1-pyridinyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide?

The InChIKey is SRQGLSTYPNZLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O7S2/c1-26(2,10-14-35-3)39(33,34)18-7-11-30(22(31)16-18)20(15-17-8-12-37-13-9-17)23(32)29-25-27-19-5-6-21(36-4)28-24(19)38-25/h5-7,11,16-17,20H,8-10,12-15H2,1-4H3,(H,27,29,32).

What are the key properties of 2-[4-(4-methoxy-2-methylbutan-2-yl)sulfonyl-2-oxo-1-pyridinyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide?

2-[4-(4-methoxy-2-methylbutan-2-yl)sulfonyl-2-oxo-1-pyridinyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide has a molecular weight of 578.71 g/mol, XLogP of 3.45, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4-methoxy-2-methylbutan-2-yl)sulfonyl-2-oxo-1-pyridinyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide is sourced from PubChem (CID 24961079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).