2-methoxy-5-morpholin-4-yl-N-[2-[4-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]phenyl]-4-pyridinyl]pyridine-3-sulfonamide

C29H36N6O5S — CID 130302803

About 2-methoxy-5-morpholin-4-yl-N-[2-[4-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]phenyl]-4-pyridinyl]pyridine-3-sulfonamide

2-methoxy-5-morpholin-4-yl-N-[2-[4-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]phenyl]-4-pyridinyl]pyridine-3-sulfonamide (PubChem CID 130302803) has the molecular formula C29H36N6O5S and a molecular weight of 580.71 g/mol. Its IUPAC name is 2-methoxy-5-morpholin-4-yl-N-[2-[4-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]phenyl]-4-pyridinyl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 2-methoxy-5-morpholin-4-yl-N-[2-[4-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]phenyl]-4-pyridinyl]pyridine-3-sulfonamide
• PubChem CID: 130302803
• Molecular Formula: C29H36N6O5S
• Molecular Weight: 580.71 g/mol
• Exact Mass: 580.25
• IUPAC Name: 2-methoxy-5-morpholin-4-yl-N-[2-[4-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]phenyl]-4-pyridinyl]pyridine-3-sulfonamide
• SMILES: COc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1ccnc(-c2ccc(CN3CCN(C4COC4)CC3)cc2)c1
• InChI: InChI=1S/C29H36N6O5S/c1-38-29-28(17-25(18-31-29)35-12-14-39-15-13-35)41(36,37)32-24-6-7-30-27(16-24)23-4-2-22(3-5-23)19-33-8-10-34(11-9-33)26-20-40-21-26/h2-7,16-18,26H,8-15,19-21H2,1H3,(H,30,32)
• InChIKey: GAYNHWGLOCVQOH-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 109.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	580.71
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-morpholin-4-yl-N-[2-[4-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]phenyl]-4-pyridinyl]pyridine-3-sulfonamide?

The IUPAC name of 2-methoxy-5-morpholin-4-yl-N-[2-[4-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]phenyl]-4-pyridinyl]pyridine-3-sulfonamide (CID 130302803) is 2-methoxy-5-morpholin-4-yl-N-[2-[4-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]phenyl]-4-pyridinyl]pyridine-3-sulfonamide.

What is the SMILES notation for 2-methoxy-5-morpholin-4-yl-N-[2-[4-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]phenyl]-4-pyridinyl]pyridine-3-sulfonamide?

The canonical SMILES for 2-methoxy-5-morpholin-4-yl-N-[2-[4-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]phenyl]-4-pyridinyl]pyridine-3-sulfonamide is COc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1ccnc(-c2ccc(CN3CCN(C4COC4)CC3)cc2)c1.

What is the InChIKey of 2-methoxy-5-morpholin-4-yl-N-[2-[4-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]phenyl]-4-pyridinyl]pyridine-3-sulfonamide?

The InChIKey is GAYNHWGLOCVQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O5S/c1-38-29-28(17-25(18-31-29)35-12-14-39-15-13-35)41(36,37)32-24-6-7-30-27(16-24)23-4-2-22(3-5-23)19-33-8-10-34(11-9-33)26-20-40-21-26/h2-7,16-18,26H,8-15,19-21H2,1H3,(H,30,32).

What are the key properties of 2-methoxy-5-morpholin-4-yl-N-[2-[4-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]phenyl]-4-pyridinyl]pyridine-3-sulfonamide?

2-methoxy-5-morpholin-4-yl-N-[2-[4-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]phenyl]-4-pyridinyl]pyridine-3-sulfonamide has a molecular weight of 580.71 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-5-morpholin-4-yl-N-[2-[4-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]phenyl]-4-pyridinyl]pyridine-3-sulfonamide is sourced from PubChem (CID 130302803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).