3-(2,3-dihydroindol-1-yl)-1-[4-(dimethylamino)phenyl]-4-thiophen-2-ylpyrrole-2,5-dione

C24H21N3O2S — CID 110552293

IUPAC3-(2,3-dihydroindol-1-yl)-1-[4-(dimethylamino)phenyl]-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCN(C)c1ccc(N2C(=O)C(c3cccs3)=C(N3CCc4ccccc43)C2=O)cc1
InChIInChI=1S/C24H21N3O2S/c1-25(2)17-9-11-18(12-10-17)27-23(28)21(20-8-5-15-30-20)22(24(27)29)26-14-13-16-6-3-4-7-19(16)26/h3-12,15H,13-14H2,1-2H3
InChIKeyZNUQNMYJOBQCIR-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.16
Rot. Bonds4

About 3-(2,3-dihydroindol-1-yl)-1-[4-(dimethylamino)phenyl]-4-thiophen-2-ylpyrrole-2,5-dione

3-(2,3-dihydroindol-1-yl)-1-[4-(dimethylamino)phenyl]-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110552293) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-1-[4-(dimethylamino)phenyl]-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-1-[4-(dimethylamino)phenyl]-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110552293
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC Name3-(2,3-dihydroindol-1-yl)-1-[4-(dimethylamino)phenyl]-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCN(C)c1ccc(N2C(=O)C(c3cccs3)=C(N3CCc4ccccc43)C2=O)cc1
InChIInChI=1S/C24H21N3O2S/c1-25(2)17-9-11-18(12-10-17)27-23(28)21(20-8-5-15-30-20)22(24(27)29)26-14-13-16-6-3-4-7-19(16)26/h3-12,15H,13-14H2,1-2H3
InChIKeyZNUQNMYJOBQCIR-UHFFFAOYSA-N
XLogP4.16
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(2,3-dihydroindol-1-yl)-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553964
3-(2,3-dihydroindol-1-yl)-1-[4-(dimethylamino)phenyl]-4-phenylpyrrole-2,5-dione
CID 110558734
3-(2,3-dihydroindol-1-yl)-1-(3,4-dimethylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554246
3-(2,3-dihydroindol-1-yl)-1-[4-(dimethylamino)phenyl]-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110543134
3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553962
1-[4-(dimethylamino)phenyl]-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552277
3-(2,3-dihydroindol-1-yl)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553012
1-[4-(dimethylamino)phenyl]-3-piperidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552273
1-(3-chloro-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553995
3-(2,3-dihydroindol-1-yl)-1-[4-(dimethylamino)phenyl]-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110546160
1-(3-chloro-4-methylphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555069
3-(2,3-dihydroindol-1-yl)-1,4-diphenylpyrrole-2,5-dione
CID 110561108

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-[4-(dimethylamino)phenyl]-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-[4-(dimethylamino)phenyl]-4-thiophen-2-ylpyrrole-2,5-dione (CID 110552293) is 3-(2,3-dihydroindol-1-yl)-1-[4-(dimethylamino)phenyl]-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-1-[4-(dimethylamino)phenyl]-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-1-[4-(dimethylamino)phenyl]-4-thiophen-2-ylpyrrole-2,5-dione is CN(C)c1ccc(N2C(=O)C(c3cccs3)=C(N3CCc4ccccc43)C2=O)cc1.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-1-[4-(dimethylamino)phenyl]-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is ZNUQNMYJOBQCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-25(2)17-9-11-18(12-10-17)27-23(28)21(20-8-5-15-30-20)22(24(27)29)26-14-13-16-6-3-4-7-19(16)26/h3-12,15H,13-14H2,1-2H3.
What are the key properties of 3-(2,3-dihydroindol-1-yl)-1-[4-(dimethylamino)phenyl]-4-thiophen-2-ylpyrrole-2,5-dione?
3-(2,3-dihydroindol-1-yl)-1-[4-(dimethylamino)phenyl]-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 415.52 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-1-[4-(dimethylamino)phenyl]-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110552293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).