N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide

C24H21F3N2O4S — CID 58487837

About N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide

N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 58487837) has the molecular formula C24H21F3N2O4S and a molecular weight of 490.50 g/mol. Its IUPAC name is N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide
• PubChem CID: 58487837
• Molecular Formula: C24H21F3N2O4S
• Molecular Weight: 490.50 g/mol
• Exact Mass: 490.12
• IUPAC Name: N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide
• SMILES: COc1ccc(Oc2ccc(CNC(=O)C3(CC(=O)c4nccs4)CC3)cc2)c(C(F)(F)F)c1
• InChI: InChI=1S/C24H21F3N2O4S/c1-32-17-6-7-20(18(12-17)24(25,26)27)33-16-4-2-15(3-5-16)14-29-22(31)23(8-9-23)13-19(30)21-28-10-11-34-21/h2-7,10-12H,8-9,13-14H2,1H3,(H,29,31)
• InChIKey: JSHILUWJLRMDGN-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 77.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.50
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide?

The IUPAC name of N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide (CID 58487837) is N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide.

What is the SMILES notation for N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide?

The canonical SMILES for N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide is COc1ccc(Oc2ccc(CNC(=O)C3(CC(=O)c4nccs4)CC3)cc2)c(C(F)(F)F)c1.

What is the InChIKey of N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide?

The InChIKey is JSHILUWJLRMDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O4S/c1-32-17-6-7-20(18(12-17)24(25,26)27)33-16-4-2-15(3-5-16)14-29-22(31)23(8-9-23)13-19(30)21-28-10-11-34-21/h2-7,10-12H,8-9,13-14H2,1H3,(H,29,31).

What are the key properties of N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide?

N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 490.50 g/mol, XLogP of 5.63, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 58487837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).