[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium

C25H26N3OS+ — CID 8645786

About [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium (PubChem CID 8645786) has the molecular formula C25H26N3OS+ and a molecular weight of 416.57 g/mol. Its IUPAC name is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium.

Molecular Properties

• Compound Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium
• PubChem CID: 8645786
• Molecular Formula: C25H26N3OS+
• Molecular Weight: 416.57 g/mol
• Exact Mass: 416.18
• IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium
• SMILES: O=C(NC1CC1)[C@H]([NH2+]C[C@H](c1cccs1)c1c[nH]c2ccccc12)c1ccccc1
• InChI: InChI=1S/C25H25N3OS/c29-25(28-18-12-13-18)24(17-7-2-1-3-8-17)27-16-21(23-11-6-14-30-23)20-15-26-22-10-5-4-9-19(20)22/h1-11,14-15,18,21,24,26-27H,12-13,16H2,(H,28,29)/p+1/t21-,24+/m0/s1
• InChIKey: HIUGNXBGFNTFFK-XUZZJYLKSA-O
• XLogP: 3.94
• TPSA: 61.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.57
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium?

The IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium (CID 8645786) is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium.

What is the SMILES notation for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium?

The canonical SMILES for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium is O=C(NC1CC1)[C@H]([NH2+]C[C@H](c1cccs1)c1c[nH]c2ccccc12)c1ccccc1.

What is the InChIKey of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium?

The InChIKey is HIUGNXBGFNTFFK-XUZZJYLKSA-O. The full InChI is InChI=1S/C25H25N3OS/c29-25(28-18-12-13-18)24(17-7-2-1-3-8-17)27-16-21(23-11-6-14-30-23)20-15-26-22-10-5-4-9-19(20)22/h1-11,14-15,18,21,24,26-27H,12-13,16H2,(H,28,29)/p+1/t21-,24+/m0/s1.

What are the key properties of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium?

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium has a molecular weight of 416.57 g/mol, XLogP of 3.94, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium is sourced from PubChem (CID 8645786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).