1-[[4-[1-(2-amino-5-thiophen-2-ylanilino)ethenyl]phenyl]methyl]pyrrolidine-2,5-dione

C23H21N3O2S — CID 143559660

IUPAC1-[[4-[1-(2-amino-5-thiophen-2-ylanilino)ethenyl]phenyl]methyl]pyrrolidine-2,5-dione
SMILESC=C(Nc1cc(-c2cccs2)ccc1N)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C23H21N3O2S/c1-15(25-20-13-18(8-9-19(20)24)21-3-2-12-29-21)17-6-4-16(5-7-17)14-26-22(27)10-11-23(26)28/h2-9,12-13,25H,1,10-11,14,24H2
InChIKeyQIFFRDFLFDARNT-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.73
Rot. Bonds6

About 1-[[4-[1-(2-amino-5-thiophen-2-ylanilino)ethenyl]phenyl]methyl]pyrrolidine-2,5-dione

1-[[4-[1-(2-amino-5-thiophen-2-ylanilino)ethenyl]phenyl]methyl]pyrrolidine-2,5-dione (PubChem CID 143559660) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is 1-[[4-[1-(2-amino-5-thiophen-2-ylanilino)ethenyl]phenyl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[4-[1-(2-amino-5-thiophen-2-ylanilino)ethenyl]phenyl]methyl]pyrrolidine-2,5-dione
PubChem CID143559660
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC Name1-[[4-[1-(2-amino-5-thiophen-2-ylanilino)ethenyl]phenyl]methyl]pyrrolidine-2,5-dione
SMILESC=C(Nc1cc(-c2cccs2)ccc1N)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C23H21N3O2S/c1-15(25-20-13-18(8-9-19(20)24)21-3-2-12-29-21)17-6-4-16(5-7-17)14-26-22(27)10-11-23(26)28/h2-9,12-13,25H,1,10-11,14,24H2
InChIKeyQIFFRDFLFDARNT-UHFFFAOYSA-N
XLogP4.73
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.73
H-Bond Donors ≤ 52
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

N-(2-amino-5-thiophen-2-ylphenyl)-4-[[3-(dimethylamino)-2,5-dioxopyrrolidin-1-yl]methyl]benzamide
CID 69101279
N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]benzamide
CID 69101017
N-(2-amino-5-thiophen-2-ylphenyl)-4-[(6-oxo-2-oxa-5-azaspiro[3.5]nonan-5-yl)methyl]benzamide
CID 139460401
CID 88928326
CID 88928326
N-(2-amino-5-thiophen-2-ylphenyl)-4-[(2-cyclopropyl-6-oxo-2,5-diazaspiro[3.4]octan-5-yl)methyl]benzamide
CID 139460044
N-(2-amino-5-thiophen-2-ylphenyl)-4-[2-(4-methyl-2,5-dioxopiperazin-1-yl)ethyl]benzamide
CID 145031072
N-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide
CID 25157373
4-[(3-acetamidopyrrolidin-1-yl)methyl]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide
CID 69100695
4-[[(3S)-3-acetamidopyrrolidin-1-yl]methyl]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide
CID 25068817
[1-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]cyclopropyl]-methylphosphinic acid
CID 67316902
N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-cyclopropyl-3-oxopropyl)benzamide
CID 59627263
CID 88928300
CID 88928300

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[1-(2-amino-5-thiophen-2-ylanilino)ethenyl]phenyl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[4-[1-(2-amino-5-thiophen-2-ylanilino)ethenyl]phenyl]methyl]pyrrolidine-2,5-dione (CID 143559660) is 1-[[4-[1-(2-amino-5-thiophen-2-ylanilino)ethenyl]phenyl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[4-[1-(2-amino-5-thiophen-2-ylanilino)ethenyl]phenyl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[4-[1-(2-amino-5-thiophen-2-ylanilino)ethenyl]phenyl]methyl]pyrrolidine-2,5-dione is C=C(Nc1cc(-c2cccs2)ccc1N)c1ccc(CN2C(=O)CCC2=O)cc1.
What is the InChIKey of 1-[[4-[1-(2-amino-5-thiophen-2-ylanilino)ethenyl]phenyl]methyl]pyrrolidine-2,5-dione?
The InChIKey is QIFFRDFLFDARNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-15(25-20-13-18(8-9-19(20)24)21-3-2-12-29-21)17-6-4-16(5-7-17)14-26-22(27)10-11-23(26)28/h2-9,12-13,25H,1,10-11,14,24H2.
What are the key properties of 1-[[4-[1-(2-amino-5-thiophen-2-ylanilino)ethenyl]phenyl]methyl]pyrrolidine-2,5-dione?
1-[[4-[1-(2-amino-5-thiophen-2-ylanilino)ethenyl]phenyl]methyl]pyrrolidine-2,5-dione has a molecular weight of 403.51 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[1-(2-amino-5-thiophen-2-ylanilino)ethenyl]phenyl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 143559660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).