N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide

C18H19F3N2O2S2 — CID 1083930

About N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide

N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 1083930) has the molecular formula C18H19F3N2O2S2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
• PubChem CID: 1083930
• Molecular Formula: C18H19F3N2O2S2
• Molecular Weight: 416.49 g/mol
• Exact Mass: 416.08
• IUPAC Name: N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
• SMILES: O=C(NC1CCCC1)[C@H](c1cccs1)N(Cc1cccs1)C(=O)C(F)(F)F
• InChI: InChI=1S/C18H19F3N2O2S2/c19-18(20,21)17(25)23(11-13-7-3-9-26-13)15(14-8-4-10-27-14)16(24)22-12-5-1-2-6-12/h3-4,7-10,12,15H,1-2,5-6,11H2,(H,22,24)/t15-/m0/s1
• InChIKey: SDPFWEICGHLAHR-HNNXBMFYSA-N
• XLogP: 4.50
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.49
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide?

The IUPAC name of N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide (CID 1083930) is N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide.

What is the SMILES notation for N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide?

The canonical SMILES for N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide is O=C(NC1CCCC1)[C@H](c1cccs1)N(Cc1cccs1)C(=O)C(F)(F)F.

What is the InChIKey of N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide?

The InChIKey is SDPFWEICGHLAHR-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19F3N2O2S2/c19-18(20,21)17(25)23(11-13-7-3-9-26-13)15(14-8-4-10-27-14)16(24)22-12-5-1-2-6-12/h3-4,7-10,12,15H,1-2,5-6,11H2,(H,22,24)/t15-/m0/s1.

What are the key properties of N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide?

N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 416.49 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 1083930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).