2,3-dihydro-1H-isoindol-5-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

C17H18N2OS — CID 103998485

IUPAC2,3-dihydro-1H-isoindol-5-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)CNC2)N1CCCC1c1cccs1
InChIInChI=1S/C17H18N2OS/c20-17(12-5-6-13-10-18-11-14(13)9-12)19-7-1-3-15(19)16-4-2-8-21-16/h2,4-6,8-9,15,18H,1,3,7,10-11H2
InChIKeyNWZBUQBZWJILFA-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.33
Rot. Bonds2

About 2,3-dihydro-1H-isoindol-5-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

2,3-dihydro-1H-isoindol-5-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (PubChem CID 103998485) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 2,3-dihydro-1H-isoindol-5-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-isoindol-5-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
PubChem CID103998485
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name2,3-dihydro-1H-isoindol-5-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)CNC2)N1CCCC1c1cccs1
InChIInChI=1S/C17H18N2OS/c20-17(12-5-6-13-10-18-11-14(13)9-12)19-7-1-3-15(19)16-4-2-8-21-16/h2,4-6,8-9,15,18H,1,3,7,10-11H2
InChIKeyNWZBUQBZWJILFA-UHFFFAOYSA-N
XLogP3.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-dihydro-1H-isoindol-5-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone 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-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 47102179
[4-(dimethylamino)phenyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30035561
2-sulfanylidene-7-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]-1H-quinazolin-4-one
CID 95045596
(4-amino-1H-pyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 61115824
(6-methyl-3-pyridinyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 29284515
1-[3-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9440775
3-[3-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
CID 94029885
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
(3-amino-5-methoxyphenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 78984399
N-tert-butyl-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 51165544
(3-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 167982186

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-isoindol-5-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-isoindol-5-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (CID 103998485) is 2,3-dihydro-1H-isoindol-5-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-isoindol-5-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-isoindol-5-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is O=C(c1ccc2c(c1)CNC2)N1CCCC1c1cccs1.
What is the InChIKey of 2,3-dihydro-1H-isoindol-5-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is NWZBUQBZWJILFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c20-17(12-5-6-13-10-18-11-14(13)9-12)19-7-1-3-15(19)16-4-2-8-21-16/h2,4-6,8-9,15,18H,1,3,7,10-11H2.
What are the key properties of 2,3-dihydro-1H-isoindol-5-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
2,3-dihydro-1H-isoindol-5-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 298.41 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-isoindol-5-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 103998485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).