N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide

C20H23F3N2O2S2 — CID 3369379

About N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide

N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3369379) has the molecular formula C20H23F3N2O2S2 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
• PubChem CID: 3369379
• Molecular Formula: C20H23F3N2O2S2
• Molecular Weight: 444.54 g/mol
• Exact Mass: 444.12
• IUPAC Name: N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
• SMILES: Cc1ccc(C(C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)C(F)(F)F)s1
• InChI: InChI=1S/C20H23F3N2O2S2/c1-13-9-10-16(29-13)17(18(26)24-14-6-3-2-4-7-14)25(19(27)20(21,22)23)12-15-8-5-11-28-15/h5,8-11,14,17H,2-4,6-7,12H2,1H3,(H,24,26)
• InChIKey: LOSLEUSHXISEQV-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.54
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide?

The IUPAC name of N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide (CID 3369379) is N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide.

What is the SMILES notation for N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide?

The canonical SMILES for N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide is Cc1ccc(C(C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)C(F)(F)F)s1.

What is the InChIKey of N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide?

The InChIKey is LOSLEUSHXISEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2S2/c1-13-9-10-16(29-13)17(18(26)24-14-6-3-2-4-7-14)25(19(27)20(21,22)23)12-15-8-5-11-28-15/h5,8-11,14,17H,2-4,6-7,12H2,1H3,(H,24,26).

What are the key properties of N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide?

N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 444.54 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3369379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).