(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium

C23H27N2O2S+ — CID 8805898

About (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium

(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium (PubChem CID 8805898) has the molecular formula C23H27N2O2S+ and a molecular weight of 395.55 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium.

Molecular Properties

• Compound Name: (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
• PubChem CID: 8805898
• Molecular Formula: C23H27N2O2S+
• Molecular Weight: 395.55 g/mol
• Exact Mass: 395.18
• IUPAC Name: (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
• SMILES: COc1ccc(C)cc1C[NH+](C)CC(=O)N[C@H](c1ccccc1)c1cccs1
• InChI: InChI=1S/C23H26N2O2S/c1-17-11-12-20(27-3)19(14-17)15-25(2)16-22(26)24-23(21-10-7-13-28-21)18-8-5-4-6-9-18/h4-14,23H,15-16H2,1-3H3,(H,24,26)/p+1/t23-/m1/s1
• InChIKey: SXJNQWGMDBGQOA-HSZRJFAPSA-O
• XLogP: 2.99
• TPSA: 42.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.55
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium?

The IUPAC name of (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium (CID 8805898) is (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium.

What is the SMILES notation for (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium?

The canonical SMILES for (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium is COc1ccc(C)cc1C[NH+](C)CC(=O)N[C@H](c1ccccc1)c1cccs1.

What is the InChIKey of (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium?

The InChIKey is SXJNQWGMDBGQOA-HSZRJFAPSA-O. The full InChI is InChI=1S/C23H26N2O2S/c1-17-11-12-20(27-3)19(14-17)15-25(2)16-22(26)24-23(21-10-7-13-28-21)18-8-5-4-6-9-18/h4-14,23H,15-16H2,1-3H3,(H,24,26)/p+1/t23-/m1/s1.

What are the key properties of (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium?

(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium has a molecular weight of 395.55 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium is sourced from PubChem (CID 8805898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).