1-butyl-3-(N-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione

C20H22N2O2S — CID 110552894

IUPAC1-butyl-3-(N-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCCCCN1C(=O)C(c2cccs2)=C(N(CC)c2ccccc2)C1=O
InChIInChI=1S/C20H22N2O2S/c1-3-5-13-22-19(23)17(16-12-9-14-25-16)18(20(22)24)21(4-2)15-10-7-6-8-11-15/h6-12,14H,3-5,13H2,1-2H3
InChIKeyNUIYPICOMUYZRZ-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.15
Rot. Bonds7

About 1-butyl-3-(N-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione

1-butyl-3-(N-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110552894) has the molecular formula C20H22N2O2S and a molecular weight of 354.47 g/mol. Its IUPAC name is 1-butyl-3-(N-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-butyl-3-(N-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110552894
Molecular FormulaC20H22N2O2S
Molecular Weight354.47 g/mol
Exact Mass354.14
IUPAC Name1-butyl-3-(N-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCCCCN1C(=O)C(c2cccs2)=C(N(CC)c2ccccc2)C1=O
InChIInChI=1S/C20H22N2O2S/c1-3-5-13-22-19(23)17(16-12-9-14-25-16)18(20(22)24)21(4-2)15-10-7-6-8-11-15/h6-12,14H,3-5,13H2,1-2H3
InChIKeyNUIYPICOMUYZRZ-UHFFFAOYSA-N
XLogP4.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-butoxypropyl)-3-(N-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553600
3-(N-ethylanilino)-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552386
1-butyl-3-(N-methylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552896
3-(N-ethylanilino)-1-[(4-methylphenyl)methyl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552558
3-(N-ethylanilino)-1-(2-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555342
1-octyl-3,4-dithiophen-2-ylpyrrole-2,5-dione
CID 132937304
3-(N-ethylanilino)-4-thiophen-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione
CID 110551995
1-butyl-3-[ethyl(2-pyridin-4-ylethyl)amino]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552890
3-(N-ethylanilino)-4-thiophen-2-yl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110555436
3-[benzyl(methyl)amino]-1-propyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552926
1-(3,4-difluorophenyl)-3-(N-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555407
3-(3,4-dimethylphenyl)-4-(N-ethylanilino)-1-hexylpyrrole-2,5-dione
CID 110549357

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(N-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 1-butyl-3-(N-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione (CID 110552894) is 1-butyl-3-(N-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-butyl-3-(N-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 1-butyl-3-(N-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione is CCCCN1C(=O)C(c2cccs2)=C(N(CC)c2ccccc2)C1=O.
What is the InChIKey of 1-butyl-3-(N-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is NUIYPICOMUYZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-3-5-13-22-19(23)17(16-12-9-14-25-16)18(20(22)24)21(4-2)15-10-7-6-8-11-15/h6-12,14H,3-5,13H2,1-2H3.
What are the key properties of 1-butyl-3-(N-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione?
1-butyl-3-(N-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 354.47 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(N-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110552894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).