N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide

C25H28FN3O2S — CID 3191201

About N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide

N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide (PubChem CID 3191201) has the molecular formula C25H28FN3O2S and a molecular weight of 453.58 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide.

Molecular Properties

• Compound Name: N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide
• PubChem CID: 3191201
• Molecular Formula: C25H28FN3O2S
• Molecular Weight: 453.58 g/mol
• Exact Mass: 453.19
• IUPAC Name: N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide
• SMILES: Cn1cccc1C(C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)c1ccc(F)cc1
• InChI: InChI=1S/C25H28FN3O2S/c1-28-15-5-10-22(28)24(25(31)27-19-7-3-2-4-8-19)29(20-13-11-18(26)12-14-20)23(30)17-21-9-6-16-32-21/h5-6,9-16,19,24H,2-4,7-8,17H2,1H3,(H,27,31)
• InChIKey: POJGMSVSCUVPBF-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 54.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.58
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide?

The IUPAC name of N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide (CID 3191201) is N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide.

What is the SMILES notation for N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide?

The canonical SMILES for N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide is Cn1cccc1C(C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)c1ccc(F)cc1.

What is the InChIKey of N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide?

The InChIKey is POJGMSVSCUVPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O2S/c1-28-15-5-10-22(28)24(25(31)27-19-7-3-2-4-8-19)29(20-13-11-18(26)12-14-20)23(30)17-21-9-6-16-32-21/h5-6,9-16,19,24H,2-4,7-8,17H2,1H3,(H,27,31).

What are the key properties of N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide?

N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide has a molecular weight of 453.58 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide is sourced from PubChem (CID 3191201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).