N-[(1S)-2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(4-fluorophenyl)furan-2-carboxamide

C25H25FN2O3 — CID 1469280

About N-[(1S)-2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(4-fluorophenyl)furan-2-carboxamide

N-[(1S)-2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(4-fluorophenyl)furan-2-carboxamide (PubChem CID 1469280) has the molecular formula C25H25FN2O3 and a molecular weight of 420.48 g/mol. Its IUPAC name is N-[(1S)-2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(4-fluorophenyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(4-fluorophenyl)furan-2-carboxamide
• PubChem CID: 1469280
• Molecular Formula: C25H25FN2O3
• Molecular Weight: 420.48 g/mol
• Exact Mass: 420.18
• IUPAC Name: N-[(1S)-2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(4-fluorophenyl)furan-2-carboxamide
• SMILES: Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(F)cc2)cc1
• InChI: InChI=1S/C25H25FN2O3/c1-17-8-10-18(11-9-17)23(24(29)27-20-5-2-3-6-20)28(21-14-12-19(26)13-15-21)25(30)22-7-4-16-31-22/h4,7-16,20,23H,2-3,5-6H2,1H3,(H,27,29)/t23-/m0/s1
• InChIKey: DMSMYXRBZUNEDM-QHCPKHFHSA-N
• XLogP: 5.17
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.48
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(4-fluorophenyl)furan-2-carboxamide?

The IUPAC name of N-[(1S)-2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(4-fluorophenyl)furan-2-carboxamide (CID 1469280) is N-[(1S)-2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(4-fluorophenyl)furan-2-carboxamide.

What is the SMILES notation for N-[(1S)-2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(4-fluorophenyl)furan-2-carboxamide?

The canonical SMILES for N-[(1S)-2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(4-fluorophenyl)furan-2-carboxamide is Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(F)cc2)cc1.

What is the InChIKey of N-[(1S)-2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(4-fluorophenyl)furan-2-carboxamide?

The InChIKey is DMSMYXRBZUNEDM-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H25FN2O3/c1-17-8-10-18(11-9-17)23(24(29)27-20-5-2-3-6-20)28(21-14-12-19(26)13-15-21)25(30)22-7-4-16-31-22/h4,7-16,20,23H,2-3,5-6H2,1H3,(H,27,29)/t23-/m0/s1.

What are the key properties of N-[(1S)-2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(4-fluorophenyl)furan-2-carboxamide?

N-[(1S)-2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(4-fluorophenyl)furan-2-carboxamide has a molecular weight of 420.48 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(4-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 1469280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).