(1R,2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide

C25H31N3O6S — CID 122702149

About (1R,2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide

(1R,2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide (PubChem CID 122702149) has the molecular formula C25H31N3O6S and a molecular weight of 501.61 g/mol. Its IUPAC name is (1R,2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide.

Molecular Properties

• Compound Name: (1R,2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide
• PubChem CID: 122702149
• Molecular Formula: C25H31N3O6S
• Molecular Weight: 501.61 g/mol
• Exact Mass: 501.19
• IUPAC Name: (1R,2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide
• SMILES: COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@H](C)[C@H](OC)c2cnc(OC)cn2)cc1
• InChI: InChI=1S/C25H31N3O6S/c1-18(25(34-5)23-14-27-24(33-4)15-26-23)35(29,30)28(16-19-6-10-21(31-2)11-7-19)17-20-8-12-22(32-3)13-9-20/h6-15,18,25H,16-17H2,1-5H3/t18-,25+/m1/s1
• InChIKey: NNBSTXHTNCTDFA-CJAUYULYSA-N
• XLogP: 3.61
• TPSA: 100.08 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.61
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide?

The IUPAC name of (1R,2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide (CID 122702149) is (1R,2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide.

What is the SMILES notation for (1R,2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide?

The canonical SMILES for (1R,2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide is COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@H](C)[C@H](OC)c2cnc(OC)cn2)cc1.

What is the InChIKey of (1R,2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide?

The InChIKey is NNBSTXHTNCTDFA-CJAUYULYSA-N. The full InChI is InChI=1S/C25H31N3O6S/c1-18(25(34-5)23-14-27-24(33-4)15-26-23)35(29,30)28(16-19-6-10-21(31-2)11-7-19)17-20-8-12-22(32-3)13-9-20/h6-15,18,25H,16-17H2,1-5H3/t18-,25+/m1/s1.

What are the key properties of (1R,2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide?

(1R,2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide has a molecular weight of 501.61 g/mol, XLogP of 3.61, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide is sourced from PubChem (CID 122702149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).