N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-3-sulfanyl-2-(trifluoromethyl)phenyl]-2-morpholin-4-ylacetamide

C24H26F3N5O4S — CID 66915772

About N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-3-sulfanyl-2-(trifluoromethyl)phenyl]-2-morpholin-4-ylacetamide

N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-3-sulfanyl-2-(trifluoromethyl)phenyl]-2-morpholin-4-ylacetamide (PubChem CID 66915772) has the molecular formula C24H26F3N5O4S and a molecular weight of 537.56 g/mol. Its IUPAC name is N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-3-sulfanyl-2-(trifluoromethyl)phenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

• Compound Name: N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-3-sulfanyl-2-(trifluoromethyl)phenyl]-2-morpholin-4-ylacetamide
• PubChem CID: 66915772
• Molecular Formula: C24H26F3N5O4S
• Molecular Weight: 537.56 g/mol
• Exact Mass: 537.17
• IUPAC Name: N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-3-sulfanyl-2-(trifluoromethyl)phenyl]-2-morpholin-4-ylacetamide
• SMILES: CC1(C)C(=O)N(c2cc(S)c(C(F)(F)F)c(NC(=O)CN3CCOCC3)c2)C(=O)N1Cc1ccncc1
• InChI: InChI=1S/C24H26F3N5O4S/c1-23(2)21(34)32(22(35)31(23)13-15-3-5-28-6-4-15)16-11-17(20(18(37)12-16)24(25,26)27)29-19(33)14-30-7-9-36-10-8-30/h3-6,11-12,37H,7-10,13-14H2,1-2H3,(H,29,33)
• InChIKey: PPXAZFXENYKBTQ-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 95.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.56
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-3-sulfanyl-2-(trifluoromethyl)phenyl]-2-morpholin-4-ylacetamide?

The IUPAC name of N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-3-sulfanyl-2-(trifluoromethyl)phenyl]-2-morpholin-4-ylacetamide (CID 66915772) is N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-3-sulfanyl-2-(trifluoromethyl)phenyl]-2-morpholin-4-ylacetamide.

What is the SMILES notation for N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-3-sulfanyl-2-(trifluoromethyl)phenyl]-2-morpholin-4-ylacetamide?

The canonical SMILES for N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-3-sulfanyl-2-(trifluoromethyl)phenyl]-2-morpholin-4-ylacetamide is CC1(C)C(=O)N(c2cc(S)c(C(F)(F)F)c(NC(=O)CN3CCOCC3)c2)C(=O)N1Cc1ccncc1.

What is the InChIKey of N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-3-sulfanyl-2-(trifluoromethyl)phenyl]-2-morpholin-4-ylacetamide?

The InChIKey is PPXAZFXENYKBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O4S/c1-23(2)21(34)32(22(35)31(23)13-15-3-5-28-6-4-15)16-11-17(20(18(37)12-16)24(25,26)27)29-19(33)14-30-7-9-36-10-8-30/h3-6,11-12,37H,7-10,13-14H2,1-2H3,(H,29,33).

What are the key properties of N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-3-sulfanyl-2-(trifluoromethyl)phenyl]-2-morpholin-4-ylacetamide?

N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-3-sulfanyl-2-(trifluoromethyl)phenyl]-2-morpholin-4-ylacetamide has a molecular weight of 537.56 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-3-sulfanyl-2-(trifluoromethyl)phenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 66915772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).