N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide

C23H24N2O3S — CID 1469191

About N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide

N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide (PubChem CID 1469191) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide
• PubChem CID: 1469191
• Molecular Formula: C23H24N2O3S
• Molecular Weight: 408.52 g/mol
• Exact Mass: 408.15
• IUPAC Name: N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide
• SMILES: Cc1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1
• InChI: InChI=1S/C23H24N2O3S/c1-16-7-4-10-18(15-16)25(23(27)19-11-5-13-28-19)21(20-12-6-14-29-20)22(26)24-17-8-2-3-9-17/h4-7,10-15,17,21H,2-3,8-9H2,1H3,(H,24,26)/t21-/m1/s1
• InChIKey: AXOVKDBXHYTBLT-OAQYLSRUSA-N
• XLogP: 5.10
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.52
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide?

The IUPAC name of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide (CID 1469191) is N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide.

What is the SMILES notation for N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide?

The canonical SMILES for N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide is Cc1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1.

What is the InChIKey of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide?

The InChIKey is AXOVKDBXHYTBLT-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-16-7-4-10-18(15-16)25(23(27)19-11-5-13-28-19)21(20-12-6-14-29-20)22(26)24-17-8-2-3-9-17/h4-7,10-15,17,21H,2-3,8-9H2,1H3,(H,24,26)/t21-/m1/s1.

What are the key properties of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide?

N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 1469191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).