3-fluoro-N-[2-[2-(2,4,6-trimethyl-3-piperidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide

C26H29FN2O3S2 — CID 58125790

About 3-fluoro-N-[2-[2-(2,4,6-trimethyl-3-piperidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide

3-fluoro-N-[2-[2-(2,4,6-trimethyl-3-piperidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide (PubChem CID 58125790) has the molecular formula C26H29FN2O3S2 and a molecular weight of 500.66 g/mol. Its IUPAC name is 3-fluoro-N-[2-[2-(2,4,6-trimethyl-3-piperidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 3-fluoro-N-[2-[2-(2,4,6-trimethyl-3-piperidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide
• PubChem CID: 58125790
• Molecular Formula: C26H29FN2O3S2
• Molecular Weight: 500.66 g/mol
• Exact Mass: 500.16
• IUPAC Name: 3-fluoro-N-[2-[2-(2,4,6-trimethyl-3-piperidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide
• SMILES: Cc1cc(C)c(N2CCCCC2)c(C)c1CC(=O)c1sccc1NS(=O)(=O)c1cccc(F)c1
• InChI: InChI=1S/C26H29FN2O3S2/c1-17-14-18(2)25(29-11-5-4-6-12-29)19(3)22(17)16-24(30)26-23(10-13-33-26)28-34(31,32)21-9-7-8-20(27)15-21/h7-10,13-15,28H,4-6,11-12,16H2,1-3H3
• InChIKey: BGHZPXUJTCHVAJ-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.66
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[2-(2,4,6-trimethyl-3-piperidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide?

The IUPAC name of 3-fluoro-N-[2-[2-(2,4,6-trimethyl-3-piperidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide (CID 58125790) is 3-fluoro-N-[2-[2-(2,4,6-trimethyl-3-piperidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide.

What is the SMILES notation for 3-fluoro-N-[2-[2-(2,4,6-trimethyl-3-piperidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide?

The canonical SMILES for 3-fluoro-N-[2-[2-(2,4,6-trimethyl-3-piperidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide is Cc1cc(C)c(N2CCCCC2)c(C)c1CC(=O)c1sccc1NS(=O)(=O)c1cccc(F)c1.

What is the InChIKey of 3-fluoro-N-[2-[2-(2,4,6-trimethyl-3-piperidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide?

The InChIKey is BGHZPXUJTCHVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2O3S2/c1-17-14-18(2)25(29-11-5-4-6-12-29)19(3)22(17)16-24(30)26-23(10-13-33-26)28-34(31,32)21-9-7-8-20(27)15-21/h7-10,13-15,28H,4-6,11-12,16H2,1-3H3.

What are the key properties of 3-fluoro-N-[2-[2-(2,4,6-trimethyl-3-piperidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide?

3-fluoro-N-[2-[2-(2,4,6-trimethyl-3-piperidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide has a molecular weight of 500.66 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-N-[2-[2-(2,4,6-trimethyl-3-piperidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide is sourced from PubChem (CID 58125790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).