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

C28H34N2O3S2 — CID 58125845

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

2,4-dimethyl-N-[2-[2-(2,4,6-trimethyl-3-piperidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide (PubChem CID 58125845) has the molecular formula C28H34N2O3S2 and a molecular weight of 510.73 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-[2-(2,4,6-trimethyl-3-piperidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2,4-dimethyl-N-[2-[2-(2,4,6-trimethyl-3-piperidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide
• PubChem CID: 58125845
• Molecular Formula: C28H34N2O3S2
• Molecular Weight: 510.73 g/mol
• Exact Mass: 510.20
• IUPAC Name: 2,4-dimethyl-N-[2-[2-(2,4,6-trimethyl-3-piperidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide
• SMILES: Cc1ccc(S(=O)(=O)Nc2ccsc2C(=O)Cc2c(C)cc(C)c(N3CCCCC3)c2C)c(C)c1
• InChI: InChI=1S/C28H34N2O3S2/c1-18-9-10-26(20(3)15-18)35(32,33)29-24-11-14-34-28(24)25(31)17-23-19(2)16-21(4)27(22(23)5)30-12-7-6-8-13-30/h9-11,14-16,29H,6-8,12-13,17H2,1-5H3
• InChIKey: JNLRPLZAZJIHHA-UHFFFAOYSA-N
• XLogP: 6.51
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.73
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2,4-dimethyl-N-[2-[2-(2,4,6-trimethyl-3-piperidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide (CID 58125845) is 2,4-dimethyl-N-[2-[2-(2,4,6-trimethyl-3-piperidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide.

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

The canonical SMILES for 2,4-dimethyl-N-[2-[2-(2,4,6-trimethyl-3-piperidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccsc2C(=O)Cc2c(C)cc(C)c(N3CCCCC3)c2C)c(C)c1.

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

The InChIKey is JNLRPLZAZJIHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3S2/c1-18-9-10-26(20(3)15-18)35(32,33)29-24-11-14-34-28(24)25(31)17-23-19(2)16-21(4)27(22(23)5)30-12-7-6-8-13-30/h9-11,14-16,29H,6-8,12-13,17H2,1-5H3.

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

2,4-dimethyl-N-[2-[2-(2,4,6-trimethyl-3-piperidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide has a molecular weight of 510.73 g/mol, XLogP of 6.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-N-[2-[2-(2,4,6-trimethyl-3-piperidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide is sourced from PubChem (CID 58125845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).