N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-ethylphenyl)-2,2,2-trifluoroacetamide

C22H25F3N2O2S — CID 1458435

About N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-ethylphenyl)-2,2,2-trifluoroacetamide

N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-ethylphenyl)-2,2,2-trifluoroacetamide (PubChem CID 1458435) has the molecular formula C22H25F3N2O2S and a molecular weight of 438.52 g/mol. Its IUPAC name is N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-ethylphenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

• Compound Name: N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-ethylphenyl)-2,2,2-trifluoroacetamide
• PubChem CID: 1458435
• Molecular Formula: C22H25F3N2O2S
• Molecular Weight: 438.52 g/mol
• Exact Mass: 438.16
• IUPAC Name: N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-ethylphenyl)-2,2,2-trifluoroacetamide
• SMILES: CCc1ccc(N(C(=O)C(F)(F)F)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1
• InChI: InChI=1S/C22H25F3N2O2S/c1-2-15-10-12-17(13-11-15)27(21(29)22(23,24)25)19(18-9-6-14-30-18)20(28)26-16-7-4-3-5-8-16/h6,9-14,16,19H,2-5,7-8H2,1H3,(H,26,28)/t19-/m0/s1
• InChIKey: VITXABVMSCPPGN-IBGZPJMESA-N
• XLogP: 5.40
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.52
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-ethylphenyl)-2,2,2-trifluoroacetamide?

The IUPAC name of N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-ethylphenyl)-2,2,2-trifluoroacetamide (CID 1458435) is N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-ethylphenyl)-2,2,2-trifluoroacetamide.

What is the SMILES notation for N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-ethylphenyl)-2,2,2-trifluoroacetamide?

The canonical SMILES for N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-ethylphenyl)-2,2,2-trifluoroacetamide is CCc1ccc(N(C(=O)C(F)(F)F)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1.

What is the InChIKey of N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-ethylphenyl)-2,2,2-trifluoroacetamide?

The InChIKey is VITXABVMSCPPGN-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25F3N2O2S/c1-2-15-10-12-17(13-11-15)27(21(29)22(23,24)25)19(18-9-6-14-30-18)20(28)26-16-7-4-3-5-8-16/h6,9-14,16,19H,2-5,7-8H2,1H3,(H,26,28)/t19-/m0/s1.

What are the key properties of N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-ethylphenyl)-2,2,2-trifluoroacetamide?

N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-ethylphenyl)-2,2,2-trifluoroacetamide has a molecular weight of 438.52 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-ethylphenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 1458435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).