N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)-2-methylpropanamide

C20H23FN2O3S — CID 110302299

About N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)-2-methylpropanamide

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)-2-methylpropanamide (PubChem CID 110302299) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)-2-methylpropanamide
• PubChem CID: 110302299
• Molecular Formula: C20H23FN2O3S
• Molecular Weight: 390.48 g/mol
• Exact Mass: 390.14
• IUPAC Name: N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)-2-methylpropanamide
• SMILES: Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(C)Cc1ccc(F)cc1
• InChI: InChI=1S/C20H23FN2O3S/c1-14-4-9-18(23-10-3-11-27(23,25)26)13-19(14)22-20(24)15(2)12-16-5-7-17(21)8-6-16/h4-9,13,15H,3,10-12H2,1-2H3,(H,22,24)
• InChIKey: WSXIZWJDNLEKIH-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.48
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)-2-methylpropanamide?

The IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)-2-methylpropanamide (CID 110302299) is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)-2-methylpropanamide.

What is the SMILES notation for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)-2-methylpropanamide?

The canonical SMILES for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)-2-methylpropanamide is Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(C)Cc1ccc(F)cc1.

What is the InChIKey of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)-2-methylpropanamide?

The InChIKey is WSXIZWJDNLEKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-14-4-9-18(23-10-3-11-27(23,25)26)13-19(14)22-20(24)15(2)12-16-5-7-17(21)8-6-16/h4-9,13,15H,3,10-12H2,1-2H3,(H,22,24).

What are the key properties of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)-2-methylpropanamide?

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)-2-methylpropanamide has a molecular weight of 390.48 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 110302299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).