1-[3-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenyl]pyrrolidine-2,5-dione

C19H18N2O3S — CID 9440775

IUPAC1-[3-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1cccc(C(=O)N2CCC[C@@H]2c2cccs2)c1
InChIInChI=1S/C19H18N2O3S/c22-17-8-9-18(23)21(17)14-5-1-4-13(12-14)19(24)20-10-2-6-15(20)16-7-3-11-25-16/h1,3-5,7,11-12,15H,2,6,8-10H2/t15-/m1/s1
InChIKeyQHPGETCEDVKYJF-OAHLLOKOSA-N
MW354.43 g/mol
LogP3.38
Rot. Bonds3

About 1-[3-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenyl]pyrrolidine-2,5-dione

1-[3-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenyl]pyrrolidine-2,5-dione (PubChem CID 9440775) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-[3-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
PubChem CID9440775
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name1-[3-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1cccc(C(=O)N2CCC[C@@H]2c2cccs2)c1
InChIInChI=1S/C19H18N2O3S/c22-17-8-9-18(23)21(17)14-5-1-4-13(12-14)19(24)20-10-2-6-15(20)16-7-3-11-25-16/h1,3-5,7,11-12,15H,2,6,8-10H2/t15-/m1/s1
InChIKeyQHPGETCEDVKYJF-OAHLLOKOSA-N
XLogP3.38
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenyl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
CID 94029885
(3-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 47102179
2,3-dihydro-1H-isoindol-5-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 103998485
(3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 8916314
(6-methyl-3-pyridinyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 29284515
2-sulfanylidene-7-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]-1H-quinazolin-4-one
CID 95045596
N-methyl-N-phenyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 42907938
[4-(dimethylamino)phenyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30035561
1-[3-oxo-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propyl]pyrrolidine-2,5-dione
CID 94799365
N-prop-2-enyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 43004682
N-[2-methyl-5-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methanesulfonamide
CID 55556761
4-methyl-7-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 94469761

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenyl]pyrrolidine-2,5-dione (CID 9440775) is 1-[3-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1c1cccc(C(=O)N2CCC[C@@H]2c2cccs2)c1.
What is the InChIKey of 1-[3-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenyl]pyrrolidine-2,5-dione?
The InChIKey is QHPGETCEDVKYJF-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H18N2O3S/c22-17-8-9-18(23)21(17)14-5-1-4-13(12-14)19(24)20-10-2-6-15(20)16-7-3-11-25-16/h1,3-5,7,11-12,15H,2,6,8-10H2/t15-/m1/s1.
What are the key properties of 1-[3-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenyl]pyrrolidine-2,5-dione?
1-[3-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenyl]pyrrolidine-2,5-dione has a molecular weight of 354.43 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 9440775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).