N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(3-fluoro-4-methylphenyl)acetamide

C20H20F4N2O2S — CID 1083909

About N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(3-fluoro-4-methylphenyl)acetamide

N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 1083909) has the molecular formula C20H20F4N2O2S and a molecular weight of 428.45 g/mol. Its IUPAC name is N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(3-fluoro-4-methylphenyl)acetamide
• PubChem CID: 1083909
• Molecular Formula: C20H20F4N2O2S
• Molecular Weight: 428.45 g/mol
• Exact Mass: 428.12
• IUPAC Name: N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(3-fluoro-4-methylphenyl)acetamide
• SMILES: Cc1ccc(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1F
• InChI: InChI=1S/C20H20F4N2O2S/c1-12-8-9-14(11-15(12)21)26(19(28)20(22,23)24)17(16-7-4-10-29-16)18(27)25-13-5-2-3-6-13/h4,7-11,13,17H,2-3,5-6H2,1H3,(H,25,27)/t17-/m1/s1
• InChIKey: VWOMIXHPRJLODC-QGZVFWFLSA-N
• XLogP: 4.89
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.45
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(3-fluoro-4-methylphenyl)acetamide?

The IUPAC name of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(3-fluoro-4-methylphenyl)acetamide (CID 1083909) is N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(3-fluoro-4-methylphenyl)acetamide.

What is the SMILES notation for N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(3-fluoro-4-methylphenyl)acetamide?

The canonical SMILES for N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(3-fluoro-4-methylphenyl)acetamide is Cc1ccc(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1F.

What is the InChIKey of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(3-fluoro-4-methylphenyl)acetamide?

The InChIKey is VWOMIXHPRJLODC-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20F4N2O2S/c1-12-8-9-14(11-15(12)21)26(19(28)20(22,23)24)17(16-7-4-10-29-16)18(27)25-13-5-2-3-6-13/h4,7-11,13,17H,2-3,5-6H2,1H3,(H,25,27)/t17-/m1/s1.

What are the key properties of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(3-fluoro-4-methylphenyl)acetamide?

N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 428.45 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 1083909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).