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

C26H29N3O4S — CID 3211431

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

N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 3211431) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 3211431
• Molecular Formula: C26H29N3O4S
• Molecular Weight: 479.60 g/mol
• Exact Mass: 479.19
• IUPAC Name: N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
• SMILES: O=C(NCC(=O)N(CCc1ccccc1)C(C(=O)NC1CCCC1)c1cccs1)c1ccco1
• InChI: InChI=1S/C26H29N3O4S/c30-23(18-27-25(31)21-12-6-16-33-21)29(15-14-19-8-2-1-3-9-19)24(22-13-7-17-34-22)26(32)28-20-10-4-5-11-20/h1-3,6-9,12-13,16-17,20,24H,4-5,10-11,14-15,18H2,(H,27,31)(H,28,32)
• InChIKey: SJQUQEIJKYYAOA-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 91.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.60
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide (CID 3211431) is N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide.

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

The canonical SMILES for N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide is O=C(NCC(=O)N(CCc1ccccc1)C(C(=O)NC1CCCC1)c1cccs1)c1ccco1.

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

The InChIKey is SJQUQEIJKYYAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S/c30-23(18-27-25(31)21-12-6-16-33-21)29(15-14-19-8-2-1-3-9-19)24(22-13-7-17-34-22)26(32)28-20-10-4-5-11-20/h1-3,6-9,12-13,16-17,20,24H,4-5,10-11,14-15,18H2,(H,27,31)(H,28,32).

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

N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 479.60 g/mol, XLogP of 3.94, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 3211431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).