3-(2-aminophenyl)sulfanyl-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione

C18H18N2O2S — CID 2731402

IUPAC3-(2-aminophenyl)sulfanyl-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(Sc3ccccc3N)C2=O)c(C)c1
InChIInChI=1S/C18H18N2O2S/c1-11-7-8-14(12(2)9-11)20-17(21)10-16(18(20)22)23-15-6-4-3-5-13(15)19/h3-9,16H,10,19H2,1-2H3
InChIKeyRMZFEJIHIDJLSM-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.31
Rot. Bonds3

About 3-(2-aminophenyl)sulfanyl-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione

3-(2-aminophenyl)sulfanyl-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione (PubChem CID 2731402) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-(2-aminophenyl)sulfanyl-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-aminophenyl)sulfanyl-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
PubChem CID2731402
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name3-(2-aminophenyl)sulfanyl-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(Sc3ccccc3N)C2=O)c(C)c1
InChIInChI=1S/C18H18N2O2S/c1-11-7-8-14(12(2)9-11)20-17(21)10-16(18(20)22)23-15-6-4-3-5-13(15)19/h3-9,16H,10,19H2,1-2H3
InChIKeyRMZFEJIHIDJLSM-UHFFFAOYSA-N
XLogP3.31
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-acetylphenyl)-3-(2-aminophenyl)sulfanylpyrrolidine-2,5-dione
CID 2732593
(3R)-3-(2-aminophenyl)sulfanyl-1-(2,3,4-trifluorophenyl)pyrrolidine-2,5-dione
CID 6977579
(3S)-3-(2-aminophenyl)sulfanyl-1-(2-propan-2-ylphenyl)pyrrolidine-2,5-dione
CID 98541204
(3S)-3-benzylsulfanyl-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 867781
(3S)-3-(2-aminophenyl)sulfanyl-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 6977488
3-(2-aminophenyl)sulfanyl-1-methylpyrrolidine-2,5-dione
CID 14956141
(3R)-3-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 2367488
ethyl 2-[(3R)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetate
CID 51568500
ethyl 2-[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetate
CID 43844021
2-[(3R)-1-(4-iodo-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoate
CID 7902601
(3R)-3-(2-aminophenyl)sulfanyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione
CID 6977555
dimethyl 2-[(3R)-3-(2-aminophenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzene-1,4-dicarboxylate
CID 6977586

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)sulfanyl-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-aminophenyl)sulfanyl-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione (CID 2731402) is 3-(2-aminophenyl)sulfanyl-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-aminophenyl)sulfanyl-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-aminophenyl)sulfanyl-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione is Cc1ccc(N2C(=O)CC(Sc3ccccc3N)C2=O)c(C)c1.
What is the InChIKey of 3-(2-aminophenyl)sulfanyl-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione?
The InChIKey is RMZFEJIHIDJLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-11-7-8-14(12(2)9-11)20-17(21)10-16(18(20)22)23-15-6-4-3-5-13(15)19/h3-9,16H,10,19H2,1-2H3.
What are the key properties of 3-(2-aminophenyl)sulfanyl-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione?
3-(2-aminophenyl)sulfanyl-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione has a molecular weight of 326.42 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)sulfanyl-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2731402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).