(3R)-3-(2-aminophenyl)sulfanyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione

C17H13F3N2O3S — CID 6977555

IUPAC(3R)-3-(2-aminophenyl)sulfanyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione
SMILESNc1ccccc1S[C@@H]1CC(=O)N(c2ccccc2OC(F)(F)F)C1=O
InChIInChI=1S/C17H13F3N2O3S/c18-17(19,20)25-12-7-3-2-6-11(12)22-15(23)9-14(16(22)24)26-13-8-4-1-5-10(13)21/h1-8,14H,9,21H2/t14-/m1/s1
InChIKeyWMKVQQZRDRIFPX-CQSZACIVSA-N
MW382.36 g/mol
LogP3.59
Rot. Bonds4

About (3R)-3-(2-aminophenyl)sulfanyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione

(3R)-3-(2-aminophenyl)sulfanyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione (PubChem CID 6977555) has the molecular formula C17H13F3N2O3S and a molecular weight of 382.36 g/mol. Its IUPAC name is (3R)-3-(2-aminophenyl)sulfanyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(2-aminophenyl)sulfanyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione
PubChem CID6977555
Molecular FormulaC17H13F3N2O3S
Molecular Weight382.36 g/mol
Exact Mass382.06
IUPAC Name(3R)-3-(2-aminophenyl)sulfanyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione
SMILESNc1ccccc1S[C@@H]1CC(=O)N(c2ccccc2OC(F)(F)F)C1=O
InChIInChI=1S/C17H13F3N2O3S/c18-17(19,20)25-12-7-3-2-6-11(12)22-15(23)9-14(16(22)24)26-13-8-4-1-5-10(13)21/h1-8,14H,9,21H2/t14-/m1/s1
InChIKeyWMKVQQZRDRIFPX-CQSZACIVSA-N
XLogP3.59
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(2-aminophenyl)sulfanyl-1-(2-propan-2-ylphenyl)pyrrolidine-2,5-dione
CID 98541204
(3R)-3-(2-aminophenyl)sulfanyl-1-(2,3,4-trifluorophenyl)pyrrolidine-2,5-dione
CID 6977579
(3R)-3-methyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione
CID 6925391
1-(2-acetylphenyl)-3-(2-aminophenyl)sulfanylpyrrolidine-2,5-dione
CID 2732593
(3S)-3-(2-aminophenyl)sulfanyl-1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 6977361
3-(2-aminophenyl)sulfanyl-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 2731402
(3S)-3-(2-aminophenyl)sulfanyl-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 6977488
3-(4-aminophenyl)sulfanyl-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 19059586
3-(2-aminophenyl)sulfanyl-1-methylpyrrolidine-2,5-dione
CID 14956141
dimethyl 2-[(3R)-3-(2-aminophenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzene-1,4-dicarboxylate
CID 6977586
3-(4-aminophenyl)sulfanyl-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 53269701
ethyl 4-[(3R)-3-(2-aminophenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate
CID 98525366

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-aminophenyl)sulfanyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(2-aminophenyl)sulfanyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione (CID 6977555) is (3R)-3-(2-aminophenyl)sulfanyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(2-aminophenyl)sulfanyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(2-aminophenyl)sulfanyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione is Nc1ccccc1S[C@@H]1CC(=O)N(c2ccccc2OC(F)(F)F)C1=O.
What is the InChIKey of (3R)-3-(2-aminophenyl)sulfanyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione?
The InChIKey is WMKVQQZRDRIFPX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H13F3N2O3S/c18-17(19,20)25-12-7-3-2-6-11(12)22-15(23)9-14(16(22)24)26-13-8-4-1-5-10(13)21/h1-8,14H,9,21H2/t14-/m1/s1.
What are the key properties of (3R)-3-(2-aminophenyl)sulfanyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione?
(3R)-3-(2-aminophenyl)sulfanyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione has a molecular weight of 382.36 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-aminophenyl)sulfanyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 6977555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).