N-[[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]methyl]-2-methoxy-4-(trifluoromethyl)benzamide

C21H19F3N2O5S — CID 20777453

IUPACN-[[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]methyl]-2-methoxy-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(CC2SC(=O)NC2=O)cc1CNC(=O)c1ccc(C(F)(F)F)cc1OC
InChIInChI=1S/C21H19F3N2O5S/c1-30-15-6-3-11(8-17-19(28)26-20(29)32-17)7-12(15)10-25-18(27)14-5-4-13(21(22,23)24)9-16(14)31-2/h3-7,9,17H,8,10H2,1-2H3,(H,25,27)(H,26,28,29)
InChIKeyUPDJSYINLPKBMX-UHFFFAOYSA-N
MW468.45 g/mol
LogP3.55
Rot. Bonds7

About N-[[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]methyl]-2-methoxy-4-(trifluoromethyl)benzamide

N-[[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]methyl]-2-methoxy-4-(trifluoromethyl)benzamide (PubChem CID 20777453) has the molecular formula C21H19F3N2O5S and a molecular weight of 468.45 g/mol. Its IUPAC name is N-[[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]methyl]-2-methoxy-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]methyl]-2-methoxy-4-(trifluoromethyl)benzamide
PubChem CID20777453
Molecular FormulaC21H19F3N2O5S
Molecular Weight468.45 g/mol
Exact Mass468.10
IUPAC NameN-[[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]methyl]-2-methoxy-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(CC2SC(=O)NC2=O)cc1CNC(=O)c1ccc(C(F)(F)F)cc1OC
InChIInChI=1S/C21H19F3N2O5S/c1-30-15-6-3-11(8-17-19(28)26-20(29)32-17)7-12(15)10-25-18(27)14-5-4-13(21(22,23)24)9-16(14)31-2/h3-7,9,17H,8,10H2,1-2H3,(H,25,27)(H,26,28,29)
InChIKeyUPDJSYINLPKBMX-UHFFFAOYSA-N
XLogP3.55
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.45
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]methyl]-2,6-dimethoxypyridine-3-carboxamide
CID 20777451
5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-N-[[3-hydroxy-4-(trifluoromethyl)phenyl]methyl]-2-methoxybenzamide
CID 156614158
5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 15871344
5-[[4-methoxy-3-[[[4-(trifluoromethyl)phenyl]methylamino]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 58596453
N-[[4-(dimethylamino)phenyl]methyl]-5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxybenzamide
CID 15487783
5-(2,4-dioxo-1,3-thiazolidin-5-yl)-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 15426631
N-(2,4-dichlorophenyl)-2-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]acetamide
CID 20777438
sodium 5-[[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]-4-oxo-1,3-thiazol-2-olate
CID 23710452
N-[[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-fluorophenyl]methyl]-4-propan-2-ylbenzamide
CID 20777449
5-chloro-N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]-2-oxoethyl]-2-methoxybenzamide
CID 22418133
5-chloro-N-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]propyl]-2-methoxybenzamide
CID 22418104
2-fluoro-N-[[5-(3-formyl-4-methoxyphenyl)-2-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide
CID 89092678

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]methyl]-2-methoxy-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]methyl]-2-methoxy-4-(trifluoromethyl)benzamide (CID 20777453) is N-[[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]methyl]-2-methoxy-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]methyl]-2-methoxy-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]methyl]-2-methoxy-4-(trifluoromethyl)benzamide is COc1ccc(CC2SC(=O)NC2=O)cc1CNC(=O)c1ccc(C(F)(F)F)cc1OC.
What is the InChIKey of N-[[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]methyl]-2-methoxy-4-(trifluoromethyl)benzamide?
The InChIKey is UPDJSYINLPKBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O5S/c1-30-15-6-3-11(8-17-19(28)26-20(29)32-17)7-12(15)10-25-18(27)14-5-4-13(21(22,23)24)9-16(14)31-2/h3-7,9,17H,8,10H2,1-2H3,(H,25,27)(H,26,28,29).
What are the key properties of N-[[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]methyl]-2-methoxy-4-(trifluoromethyl)benzamide?
N-[[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]methyl]-2-methoxy-4-(trifluoromethyl)benzamide has a molecular weight of 468.45 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]methyl]-2-methoxy-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 20777453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).