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

C19H15F3N2O4S — CID 15426631

IUPAC5-(2,4-dioxo-1,3-thiazolidin-5-yl)-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOc1ccc(C2SC(=O)NC2=O)cc1C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H15F3N2O4S/c1-28-14-6-5-11(15-17(26)24-18(27)29-15)8-13(14)16(25)23-9-10-3-2-4-12(7-10)19(20,21)22/h2-8,15H,9H2,1H3,(H,23,25)(H,24,26,27)
InChIKeyJHPQHKMGEZDIAY-UHFFFAOYSA-N
MW424.40 g/mol
LogP3.67
Rot. Bonds5

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

5-(2,4-dioxo-1,3-thiazolidin-5-yl)-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 15426631) has the molecular formula C19H15F3N2O4S and a molecular weight of 424.40 g/mol. Its IUPAC name is 5-(2,4-dioxo-1,3-thiazolidin-5-yl)-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-(2,4-dioxo-1,3-thiazolidin-5-yl)-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID15426631
Molecular FormulaC19H15F3N2O4S
Molecular Weight424.40 g/mol
Exact Mass424.07
IUPAC Name5-(2,4-dioxo-1,3-thiazolidin-5-yl)-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOc1ccc(C2SC(=O)NC2=O)cc1C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H15F3N2O4S/c1-28-14-6-5-11(15-17(26)24-18(27)29-15)8-13(14)16(25)23-9-10-3-2-4-12(7-10)19(20,21)22/h2-8,15H,9H2,1H3,(H,23,25)(H,24,26,27)
InChIKeyJHPQHKMGEZDIAY-UHFFFAOYSA-N
XLogP3.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-N-[[3-hydroxy-4-(trifluoromethyl)phenyl]methyl]-2-methoxybenzamide
CID 156614158
ethyl 2-[[4-methoxy-3-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoate
CID 10972172
2-methoxy-5-piperidin-1-ylsulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 100588557
4-[3-fluoro-3-[4-methoxy-3-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]propyl]benzoic acid
CID 69243930
2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 100712114
N-[[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]methyl]-2-methoxy-4-(trifluoromethyl)benzamide
CID 20777453
8-methoxy-5-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinoline-2-carboxamide
CID 162540358
3-(2-hydroxyethoxy)-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 55734454
2-methyl-3-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-1,4-benzothiazine-6-carboxamide
CID 42601229
N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide
CID 17436374
2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 16769465
N-[[4-(dimethylamino)phenyl]methyl]-5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxybenzamide
CID 15487783

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dioxo-1,3-thiazolidin-5-yl)-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 5-(2,4-dioxo-1,3-thiazolidin-5-yl)-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (CID 15426631) is 5-(2,4-dioxo-1,3-thiazolidin-5-yl)-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 5-(2,4-dioxo-1,3-thiazolidin-5-yl)-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 5-(2,4-dioxo-1,3-thiazolidin-5-yl)-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is COc1ccc(C2SC(=O)NC2=O)cc1C(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-(2,4-dioxo-1,3-thiazolidin-5-yl)-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is JHPQHKMGEZDIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O4S/c1-28-14-6-5-11(15-17(26)24-18(27)29-15)8-13(14)16(25)23-9-10-3-2-4-12(7-10)19(20,21)22/h2-8,15H,9H2,1H3,(H,23,25)(H,24,26,27).
What are the key properties of 5-(2,4-dioxo-1,3-thiazolidin-5-yl)-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
5-(2,4-dioxo-1,3-thiazolidin-5-yl)-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 424.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dioxo-1,3-thiazolidin-5-yl)-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 15426631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).