N-[2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide

C23H19F3N2O4S — CID 55473902

About N-[2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide

N-[2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 55473902) has the molecular formula C23H19F3N2O4S and a molecular weight of 476.48 g/mol. Its IUPAC name is N-[2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
• PubChem CID: 55473902
• Molecular Formula: C23H19F3N2O4S
• Molecular Weight: 476.48 g/mol
• Exact Mass: 476.10
• IUPAC Name: N-[2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
• SMILES: O=C(NCCN1C(=O)S/C(=C\c2ccc(OC(F)F)cc2)C1=O)C1CC1c1ccccc1F
• InChI: InChI=1S/C23H19F3N2O4S/c24-18-4-2-1-3-15(18)16-12-17(16)20(29)27-9-10-28-21(30)19(33-23(28)31)11-13-5-7-14(8-6-13)32-22(25)26/h1-8,11,16-17,22H,9-10,12H2,(H,27,29)/b19-11-
• InChIKey: DQZOAMSIMMMNBG-ODLFYWEKSA-N
• XLogP: 4.38
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.48
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide?

The IUPAC name of N-[2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide (CID 55473902) is N-[2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide.

What is the SMILES notation for N-[2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide?

The canonical SMILES for N-[2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide is O=C(NCCN1C(=O)S/C(=C\c2ccc(OC(F)F)cc2)C1=O)C1CC1c1ccccc1F.

What is the InChIKey of N-[2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide?

The InChIKey is DQZOAMSIMMMNBG-ODLFYWEKSA-N. The full InChI is InChI=1S/C23H19F3N2O4S/c24-18-4-2-1-3-15(18)16-12-17(16)20(29)27-9-10-28-21(30)19(33-23(28)31)11-13-5-7-14(8-6-13)32-22(25)26/h1-8,11,16-17,22H,9-10,12H2,(H,27,29)/b19-11-.

What are the key properties of N-[2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide?

N-[2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 476.48 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 55473902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).