N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide

C23H25N3O5S — CID 3211419

About N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 3211419) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 3211419
• Molecular Formula: C23H25N3O5S
• Molecular Weight: 455.54 g/mol
• Exact Mass: 455.15
• IUPAC Name: N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
• SMILES: O=C(NCC(=O)N(Cc1ccco1)C(C(=O)NC1CCCC1)c1cccs1)c1ccco1
• InChI: InChI=1S/C23H25N3O5S/c27-20(14-24-22(28)18-9-4-12-31-18)26(15-17-8-3-11-30-17)21(19-10-5-13-32-19)23(29)25-16-6-1-2-7-16/h3-5,8-13,16,21H,1-2,6-7,14-15H2,(H,24,28)(H,25,29)
• InChIKey: CAYGMJIQROEQFS-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 104.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.54
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide (CID 3211419) is N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide?

The canonical SMILES for N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide is O=C(NCC(=O)N(Cc1ccco1)C(C(=O)NC1CCCC1)c1cccs1)c1ccco1.

What is the InChIKey of N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide?

The InChIKey is CAYGMJIQROEQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c27-20(14-24-22(28)18-9-4-12-31-18)26(15-17-8-3-11-30-17)21(19-10-5-13-32-19)23(29)25-16-6-1-2-7-16/h3-5,8-13,16,21H,1-2,6-7,14-15H2,(H,24,28)(H,25,29).

What are the key properties of N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide?

N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 455.54 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 3211419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).