(2R)-N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)methylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide

C29H27N3O3S — CID 129223182

About (2R)-N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)methylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide

(2R)-N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)methylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 129223182) has the molecular formula C29H27N3O3S and a molecular weight of 497.62 g/mol. Its IUPAC name is (2R)-N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)methylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

• Compound Name: (2R)-N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)methylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide
• PubChem CID: 129223182
• Molecular Formula: C29H27N3O3S
• Molecular Weight: 497.62 g/mol
• Exact Mass: 497.18
• IUPAC Name: (2R)-N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)methylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide
• SMILES: O=C([C@@H](Cc1ccccc1)NCc1ccc2[nH]c(=O)ccc2c1)N(Cc1ccco1)Cc1cccs1
• InChI: InChI=1S/C29H27N3O3S/c33-28-13-11-23-16-22(10-12-26(23)31-28)18-30-27(17-21-6-2-1-3-7-21)29(34)32(19-24-8-4-14-35-24)20-25-9-5-15-36-25/h1-16,27,30H,17-20H2,(H,31,33)/t27-/m1/s1
• InChIKey: RGDYEJITKZCIAT-HHHXNRCGSA-N
• XLogP: 5.11
• TPSA: 78.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.62
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)methylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide?

The IUPAC name of (2R)-N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)methylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide (CID 129223182) is (2R)-N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)methylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide.

What is the SMILES notation for (2R)-N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)methylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide?

The canonical SMILES for (2R)-N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)methylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide is O=C([C@@H](Cc1ccccc1)NCc1ccc2[nH]c(=O)ccc2c1)N(Cc1ccco1)Cc1cccs1.

What is the InChIKey of (2R)-N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)methylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide?

The InChIKey is RGDYEJITKZCIAT-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H27N3O3S/c33-28-13-11-23-16-22(10-12-26(23)31-28)18-30-27(17-21-6-2-1-3-7-21)29(34)32(19-24-8-4-14-35-24)20-25-9-5-15-36-25/h1-16,27,30H,17-20H2,(H,31,33)/t27-/m1/s1.

What are the key properties of (2R)-N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)methylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide?

(2R)-N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)methylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 497.62 g/mol, XLogP of 5.11, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)methylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 129223182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).