4-methoxy-N-[4-[3-[2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]benzenesulfonamide

C23H34N4O6S — CID 74443398

About 4-methoxy-N-[4-[3-[2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]benzenesulfonamide

4-methoxy-N-[4-[3-[2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]benzenesulfonamide (PubChem CID 74443398) has the molecular formula C23H34N4O6S and a molecular weight of 494.61 g/mol. Its IUPAC name is 4-methoxy-N-[4-[3-[2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[4-[3-[2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]benzenesulfonamide
• PubChem CID: 74443398
• Molecular Formula: C23H34N4O6S
• Molecular Weight: 494.61 g/mol
• Exact Mass: 494.22
• IUPAC Name: 4-methoxy-N-[4-[3-[2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]benzenesulfonamide
• SMILES: COCC1CCCN1C(=O)CCC1CNC(=O)C2CC(NS(=O)(=O)c3ccc(OC)cc3)CN12
• InChI: InChI=1S/C23H34N4O6S/c1-32-15-18-4-3-11-26(18)22(28)10-5-17-13-24-23(29)21-12-16(14-27(17)21)25-34(30,31)20-8-6-19(33-2)7-9-20/h6-9,16-18,21,25H,3-5,10-15H2,1-2H3,(H,24,29)
• InChIKey: CDWZVWDYXYPYIM-UHFFFAOYSA-N
• XLogP: 0.33
• TPSA: 117.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.61
LogP ≤ 5	0.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-[3-[2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]benzenesulfonamide?

The IUPAC name of 4-methoxy-N-[4-[3-[2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]benzenesulfonamide (CID 74443398) is 4-methoxy-N-[4-[3-[2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]benzenesulfonamide.

What is the SMILES notation for 4-methoxy-N-[4-[3-[2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]benzenesulfonamide?

The canonical SMILES for 4-methoxy-N-[4-[3-[2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]benzenesulfonamide is COCC1CCCN1C(=O)CCC1CNC(=O)C2CC(NS(=O)(=O)c3ccc(OC)cc3)CN12.

What is the InChIKey of 4-methoxy-N-[4-[3-[2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]benzenesulfonamide?

The InChIKey is CDWZVWDYXYPYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O6S/c1-32-15-18-4-3-11-26(18)22(28)10-5-17-13-24-23(29)21-12-16(14-27(17)21)25-34(30,31)20-8-6-19(33-2)7-9-20/h6-9,16-18,21,25H,3-5,10-15H2,1-2H3,(H,24,29).

What are the key properties of 4-methoxy-N-[4-[3-[2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]benzenesulfonamide?

4-methoxy-N-[4-[3-[2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]benzenesulfonamide has a molecular weight of 494.61 g/mol, XLogP of 0.33, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[4-[3-[2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]benzenesulfonamide is sourced from PubChem (CID 74443398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).