N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide

C26H30N2O3S — CID 3196627

About N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide

N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide (PubChem CID 3196627) has the molecular formula C26H30N2O3S and a molecular weight of 450.60 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide
• PubChem CID: 3196627
• Molecular Formula: C26H30N2O3S
• Molecular Weight: 450.60 g/mol
• Exact Mass: 450.20
• IUPAC Name: N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide
• SMILES: CCC(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccs2)cc1
• InChI: InChI=1S/C26H30N2O3S/c1-3-18(2)19-12-14-21(15-13-19)28(26(30)22-10-6-16-31-22)24(23-11-7-17-32-23)25(29)27-20-8-4-5-9-20/h6-7,10-18,20,24H,3-5,8-9H2,1-2H3,(H,27,29)
• InChIKey: YSRCABYLHXVCNG-UHFFFAOYSA-N
• XLogP: 6.30
• 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	450.60
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide (CID 3196627) is N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide.

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

The canonical SMILES for N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide is CCC(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccs2)cc1.

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

The InChIKey is YSRCABYLHXVCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3S/c1-3-18(2)19-12-14-21(15-13-19)28(26(30)22-10-6-16-31-22)24(23-11-7-17-32-23)25(29)27-20-8-4-5-9-20/h6-7,10-18,20,24H,3-5,8-9H2,1-2H3,(H,27,29).

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

N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide has a molecular weight of 450.60 g/mol, XLogP of 6.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 3196627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).