N-(4-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazolidin-5-yl]acetamide

C20H15ClF3N3O4S — CID 18807644

IUPACN-(4-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(CC1SC(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)C1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H15ClF3N3O4S/c21-11-5-7-12(8-6-11)25-16(28)9-15-18(30)27(19(31)32-15)10-17(29)26-14-4-2-1-3-13(14)20(22,23)24/h1-8,15H,9-10H2,(H,25,28)(H,26,29)
InChIKeyRMIOPSBRTDNXDJ-UHFFFAOYSA-N
MW485.87 g/mol
LogP4.39
Rot. Bonds6

About N-(4-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazolidin-5-yl]acetamide

N-(4-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazolidin-5-yl]acetamide (PubChem CID 18807644) has the molecular formula C20H15ClF3N3O4S and a molecular weight of 485.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazolidin-5-yl]acetamide
PubChem CID18807644
Molecular FormulaC20H15ClF3N3O4S
Molecular Weight485.87 g/mol
Exact Mass485.04
IUPAC NameN-(4-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(CC1SC(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)C1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H15ClF3N3O4S/c21-11-5-7-12(8-6-11)25-16(28)9-15-18(30)27(19(31)32-15)10-17(29)26-14-4-2-1-3-13(14)20(22,23)24/h1-8,15H,9-10H2,(H,25,28)(H,26,29)
InChIKeyRMIOPSBRTDNXDJ-UHFFFAOYSA-N
XLogP4.39
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.87
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazolidin-5-yl]acetamide (CID 18807644) is N-(4-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazolidin-5-yl]acetamide is O=C(CC1SC(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)C1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is RMIOPSBRTDNXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N3O4S/c21-11-5-7-12(8-6-11)25-16(28)9-15-18(30)27(19(31)32-15)10-17(29)26-14-4-2-1-3-13(14)20(22,23)24/h1-8,15H,9-10H2,(H,25,28)(H,26,29).
What are the key properties of N-(4-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazolidin-5-yl]acetamide?
N-(4-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 485.87 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 18807644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).