2-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide

C25H19F3N2O3S — CID 5263435

IUPAC2-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(N2C(=O)CC(Sc3ccccc3C(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1
InChIInChI=1S/C25H19F3N2O3S/c1-15-9-11-18(12-10-15)30-22(31)14-21(24(30)33)34-20-8-3-2-7-19(20)23(32)29-17-6-4-5-16(13-17)25(26,27)28/h2-13,21H,14H2,1H3,(H,29,32)
InChIKeyDXFCJMTVHHWCEW-UHFFFAOYSA-N
MW484.50 g/mol
LogP5.69
Rot. Bonds5

About 2-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide

2-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 5263435) has the molecular formula C25H19F3N2O3S and a molecular weight of 484.50 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID5263435
Molecular FormulaC25H19F3N2O3S
Molecular Weight484.50 g/mol
Exact Mass484.11
IUPAC Name2-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(N2C(=O)CC(Sc3ccccc3C(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1
InChIInChI=1S/C25H19F3N2O3S/c1-15-9-11-18(12-10-15)30-22(31)14-21(24(30)33)34-20-8-3-2-7-19(20)23(32)29-17-6-4-5-16(13-17)25(26,27)28/h2-13,21H,14H2,1H3,(H,29,32)
InChIKeyDXFCJMTVHHWCEW-UHFFFAOYSA-N
XLogP5.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.50
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]sulfanyl-N-phenylbenzamide
CID 5263445
2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-N-(4-methylphenyl)benzamide
CID 5263448
2-[(3R)-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]sulfanylbenzoate
CID 6972963
2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 66488896
2-[1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid
CID 2906361
2-[(3R)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid
CID 1347483
(3S)-3-(2-aminophenyl)sulfanyl-1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 6977361
1-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 16819700
N-[4-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]-2-fluorobenzamide
CID 23099963
N-[4-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]-2-methylbenzamide
CID 22781964
N-[4-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]sulfanylphenyl]-4-methylbenzamide
CID 23095222
2-fluoro-N-[3-[1-(1H-indol-6-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]benzamide
CID 19058369

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide (CID 5263435) is 2-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide is Cc1ccc(N2C(=O)CC(Sc3ccccc3C(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is DXFCJMTVHHWCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O3S/c1-15-9-11-18(12-10-15)30-22(31)14-21(24(30)33)34-20-8-3-2-7-19(20)23(32)29-17-6-4-5-16(13-17)25(26,27)28/h2-13,21H,14H2,1H3,(H,29,32).
What are the key properties of 2-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide?
2-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 484.50 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 5263435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).