2-[1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide

C23H24F3N3O3S — CID 45192285

IUPAC2-[1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCc1csc(C(C)N(C)C(=O)CC2(c3cccc(C(F)(F)F)c3)CC(=O)N(C3CC3)C2=O)n1
InChIInChI=1S/C23H24F3N3O3S/c1-13-12-33-20(27-13)14(2)28(3)18(30)10-22(11-19(31)29(21(22)32)17-7-8-17)15-5-4-6-16(9-15)23(24,25)26/h4-6,9,12,14,17H,7-8,10-11H2,1-3H3
InChIKeyVIUCTJQIIUMTLP-UHFFFAOYSA-N
MW479.52 g/mol
LogP4.24
Rot. Bonds6

About 2-[1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide

2-[1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 45192285) has the molecular formula C23H24F3N3O3S and a molecular weight of 479.52 g/mol. Its IUPAC name is 2-[1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID45192285
Molecular FormulaC23H24F3N3O3S
Molecular Weight479.52 g/mol
Exact Mass479.15
IUPAC Name2-[1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCc1csc(C(C)N(C)C(=O)CC2(c3cccc(C(F)(F)F)c3)CC(=O)N(C3CC3)C2=O)n1
InChIInChI=1S/C23H24F3N3O3S/c1-13-12-33-20(27-13)14(2)28(3)18(30)10-22(11-19(31)29(21(22)32)17-7-8-17)15-5-4-6-16(9-15)23(24,25)26/h4-6,9,12,14,17H,7-8,10-11H2,1-3H3
InChIKeyVIUCTJQIIUMTLP-UHFFFAOYSA-N
XLogP4.24
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-[1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide (CID 45192285) is 2-[1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide is Cc1csc(C(C)N(C)C(=O)CC2(c3cccc(C(F)(F)F)c3)CC(=O)N(C3CC3)C2=O)n1.
What is the InChIKey of 2-[1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is VIUCTJQIIUMTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O3S/c1-13-12-33-20(27-13)14(2)28(3)18(30)10-22(11-19(31)29(21(22)32)17-7-8-17)15-5-4-6-16(9-15)23(24,25)26/h4-6,9,12,14,17H,7-8,10-11H2,1-3H3.
What are the key properties of 2-[1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide?
2-[1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 479.52 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 45192285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).