N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide

C24H26N2O3S — CID 3196630

About N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide

N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide (PubChem CID 3196630) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide
• PubChem CID: 3196630
• Molecular Formula: C24H26N2O3S
• Molecular Weight: 422.55 g/mol
• Exact Mass: 422.17
• IUPAC Name: N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide
• SMILES: Cc1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccs2)cc1C
• InChI: InChI=1S/C24H26N2O3S/c1-16-11-12-19(15-17(16)2)26(24(28)20-9-5-13-29-20)22(21-10-6-14-30-21)23(27)25-18-7-3-4-8-18/h5-6,9-15,18,22H,3-4,7-8H2,1-2H3,(H,25,27)
• InChIKey: BAXIXCQEGIDIIZ-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.55
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide?

The IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide (CID 3196630) is N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide.

What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide?

The canonical SMILES for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide is Cc1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccs2)cc1C.

What is the InChIKey of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide?

The InChIKey is BAXIXCQEGIDIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-16-11-12-19(15-17(16)2)26(24(28)20-9-5-13-29-20)22(21-10-6-14-30-21)23(27)25-18-7-3-4-8-18/h5-6,9-15,18,22H,3-4,7-8H2,1-2H3,(H,25,27).

What are the key properties of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide?

N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 3196630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).