2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-methyl-N-[(5-propylpyrazolidin-3-yl)methyl]acetamide

C25H32N4O3S — CID 74806885

IUPAC2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-methyl-N-[(5-propylpyrazolidin-3-yl)methyl]acetamide
SMILESCCCC1CC(CN(C)C(=O)CC2(c3ccccc3)CC(=O)N(Cc3cccs3)C2=O)NN1
InChIInChI=1S/C25H32N4O3S/c1-3-8-19-13-20(27-26-19)16-28(2)22(30)14-25(18-9-5-4-6-10-18)15-23(31)29(24(25)32)17-21-11-7-12-33-21/h4-7,9-12,19-20,26-27H,3,8,13-17H2,1-2H3
InChIKeyMLYHSCLGLLFIFR-UHFFFAOYSA-N
MW468.62 g/mol
LogP2.83
Rot. Bonds9

About 2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-methyl-N-[(5-propylpyrazolidin-3-yl)methyl]acetamide

2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-methyl-N-[(5-propylpyrazolidin-3-yl)methyl]acetamide (PubChem CID 74806885) has the molecular formula C25H32N4O3S and a molecular weight of 468.62 g/mol. Its IUPAC name is 2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-methyl-N-[(5-propylpyrazolidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-methyl-N-[(5-propylpyrazolidin-3-yl)methyl]acetamide
PubChem CID74806885
Molecular FormulaC25H32N4O3S
Molecular Weight468.62 g/mol
Exact Mass468.22
IUPAC Name2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-methyl-N-[(5-propylpyrazolidin-3-yl)methyl]acetamide
SMILESCCCC1CC(CN(C)C(=O)CC2(c3ccccc3)CC(=O)N(Cc3cccs3)C2=O)NN1
InChIInChI=1S/C25H32N4O3S/c1-3-8-19-13-20(27-26-19)16-28(2)22(30)14-25(18-9-5-4-6-10-18)15-23(31)29(24(25)32)17-21-11-7-12-33-21/h4-7,9-12,19-20,26-27H,3,8,13-17H2,1-2H3
InChIKeyMLYHSCLGLLFIFR-UHFFFAOYSA-N
XLogP2.83
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-methyl-N-(2-phenylethyl)acetamide
CID 45181207
2-[(3S)-2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide
CID 42538014
2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 56852159
2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-propylpyrazolidin-3-yl)methyl]acetamide
CID 74780839
2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)-N-propylacetamide
CID 45170624
2-[(3S)-2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-propylacetamide
CID 42320128
2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 45181634
(3R)-3-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
CID 42318183
3-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
CID 45174758
(3R)-3-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
CID 42437414
(3R)-3-[2-[(5R)-7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl]-2-oxoethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
CID 51901271
(3R)-3-[2-oxo-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
CID 42278222

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-methyl-N-[(5-propylpyrazolidin-3-yl)methyl]acetamide?
The IUPAC name of 2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-methyl-N-[(5-propylpyrazolidin-3-yl)methyl]acetamide (CID 74806885) is 2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-methyl-N-[(5-propylpyrazolidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-methyl-N-[(5-propylpyrazolidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-methyl-N-[(5-propylpyrazolidin-3-yl)methyl]acetamide is CCCC1CC(CN(C)C(=O)CC2(c3ccccc3)CC(=O)N(Cc3cccs3)C2=O)NN1.
What is the InChIKey of 2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-methyl-N-[(5-propylpyrazolidin-3-yl)methyl]acetamide?
The InChIKey is MLYHSCLGLLFIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3S/c1-3-8-19-13-20(27-26-19)16-28(2)22(30)14-25(18-9-5-4-6-10-18)15-23(31)29(24(25)32)17-21-11-7-12-33-21/h4-7,9-12,19-20,26-27H,3,8,13-17H2,1-2H3.
What are the key properties of 2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-methyl-N-[(5-propylpyrazolidin-3-yl)methyl]acetamide?
2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-methyl-N-[(5-propylpyrazolidin-3-yl)methyl]acetamide has a molecular weight of 468.62 g/mol, XLogP of 2.83, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-methyl-N-[(5-propylpyrazolidin-3-yl)methyl]acetamide is sourced from PubChem (CID 74806885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).