1-(4-ethoxyphenyl)-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione

C22H25N3O4S — CID 2997067

IUPAC1-(4-ethoxyphenyl)-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)CC(NC3CCN(C(=O)c4cccs4)CC3)C2=O)cc1
InChIInChI=1S/C22H25N3O4S/c1-2-29-17-7-5-16(6-8-17)25-20(26)14-18(21(25)27)23-15-9-11-24(12-10-15)22(28)19-4-3-13-30-19/h3-8,13,15,18,23H,2,9-12,14H2,1H3
InChIKeyUPCKZNZDINBZJJ-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.67
Rot. Bonds6

About 1-(4-ethoxyphenyl)-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione

1-(4-ethoxyphenyl)-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione (PubChem CID 2997067) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione
PubChem CID2997067
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name1-(4-ethoxyphenyl)-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)CC(NC3CCN(C(=O)c4cccs4)CC3)C2=O)cc1
InChIInChI=1S/C22H25N3O4S/c1-2-29-17-7-5-16(6-8-17)25-20(26)14-18(21(25)27)23-15-9-11-24(12-10-15)22(28)19-4-3-13-30-19/h3-8,13,15,18,23H,2,9-12,14H2,1H3
InChIKeyUPCKZNZDINBZJJ-UHFFFAOYSA-N
XLogP2.67
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(4-ethoxyphenyl)-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione with MolForge

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Related Compounds

Thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10248783
[4-(2-Ethoxy-phenyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 896558
1-(4-ethoxyphenyl)-5-oxo-N-(2-oxothiolan-3-yl)pyrrolidine-3-carboxamide
CID 6494496
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 10617524
(2S)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 16247900
1-(4-Methoxyphenyl)-3-[(thiophen-2-ylmethyl)amino]pyrrolidine-2,5-dione
CID 661792
1-(4-Phenoxyphenyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122654048
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylthiophene-2-carboxamide
CID 1433190
1-[2-[4-[Methyl(thiophene-2-carbonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide
CID 2123750
[2-(4-methoxyanilino)-2-oxoethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 2368779
2-{1-(4-methoxyphenyl)-5-oxo-3-[2-(thiophen-2-yl)ethyl]-2-thioxoimidazolidin-4-yl}-N-phenylacetamide
CID 2962752
3-[2-(4-Ethylsulfonylanilino)ethylamino]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 2980876

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione (CID 2997067) is 1-(4-ethoxyphenyl)-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione is CCOc1ccc(N2C(=O)CC(NC3CCN(C(=O)c4cccs4)CC3)C2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione?
The InChIKey is UPCKZNZDINBZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-2-29-17-7-5-16(6-8-17)25-20(26)14-18(21(25)27)23-15-9-11-24(12-10-15)22(28)19-4-3-13-30-19/h3-8,13,15,18,23H,2,9-12,14H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione?
1-(4-ethoxyphenyl)-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione has a molecular weight of 427.53 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 2997067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).