N-[(1R)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide

C25H21FN2O3S — CID 51686529

About N-[(1R)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide

N-[(1R)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide (PubChem CID 51686529) has the molecular formula C25H21FN2O3S and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[(1R)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
• PubChem CID: 51686529
• Molecular Formula: C25H21FN2O3S
• Molecular Weight: 448.52 g/mol
• Exact Mass: 448.13
• IUPAC Name: N-[(1R)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
• SMILES: O=C(NCc1ccc(F)cc1)[C@@H](c1ccccc1)N(Cc1cccs1)C(=O)c1ccco1
• InChI: InChI=1S/C25H21FN2O3S/c26-20-12-10-18(11-13-20)16-27-24(29)23(19-6-2-1-3-7-19)28(17-21-8-5-15-32-21)25(30)22-9-4-14-31-22/h1-15,23H,16-17H2,(H,27,29)/t23-/m1/s1
• InChIKey: PKRSGZXUGCODON-HSZRJFAPSA-N
• XLogP: 5.18
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.52
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide?

The IUPAC name of N-[(1R)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide (CID 51686529) is N-[(1R)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide.

What is the SMILES notation for N-[(1R)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide?

The canonical SMILES for N-[(1R)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide is O=C(NCc1ccc(F)cc1)[C@@H](c1ccccc1)N(Cc1cccs1)C(=O)c1ccco1.

What is the InChIKey of N-[(1R)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide?

The InChIKey is PKRSGZXUGCODON-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H21FN2O3S/c26-20-12-10-18(11-13-20)16-27-24(29)23(19-6-2-1-3-7-19)28(17-21-8-5-15-32-21)25(30)22-9-4-14-31-22/h1-15,23H,16-17H2,(H,27,29)/t23-/m1/s1.

What are the key properties of N-[(1R)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide?

N-[(1R)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 51686529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).