2-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)-3H-isoindol-1-one

C19H20N2O3S — CID 46278052

IUPAC2-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)-3H-isoindol-1-one
SMILESO=C(CC(c1cccs1)N1Cc2ccccc2C1=O)N1CCOCC1
InChIInChI=1S/C19H20N2O3S/c22-18(20-7-9-24-10-8-20)12-16(17-6-3-11-25-17)21-13-14-4-1-2-5-15(14)19(21)23/h1-6,11,16H,7-10,12-13H2
InChIKeyDSZWKVCKUWUJSD-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.69
Rot. Bonds4

About 2-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)-3H-isoindol-1-one

2-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)-3H-isoindol-1-one (PubChem CID 46278052) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)-3H-isoindol-1-one
PubChem CID46278052
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name2-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)-3H-isoindol-1-one
SMILESO=C(CC(c1cccs1)N1Cc2ccccc2C1=O)N1CCOCC1
InChIInChI=1S/C19H20N2O3S/c22-18(20-7-9-24-10-8-20)12-16(17-6-3-11-25-17)21-13-14-4-1-2-5-15(14)19(21)23/h1-6,11,16H,7-10,12-13H2
InChIKeyDSZWKVCKUWUJSD-UHFFFAOYSA-N
XLogP2.69
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(4-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-thiophen-2-ylpropanamide
CID 92722970
2-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3H-isoindol-1-one
CID 40542427
2-(4-methylsulfonyl-1-morpholin-4-yl-1-oxobutan-2-yl)-3H-isoindol-1-one
CID 20905838
2-[1-(4-methoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one
CID 46277897
N-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)acetamide
CID 47017273
2-[(1S)-1-(4-methylphenyl)-3-oxo-3-(4-propylpiperazin-1-yl)propyl]-3H-isoindol-1-one
CID 92723113
2-(2-morpholin-4-yl-2-oxoethyl)-4H-isoquinoline-1,3-dione
CID 17449767
4-hydroxy-1-morpholin-4-yl-4-thiophen-2-ylbutan-1-one
CID 82120337
2-[1-(3,4-dimethoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one
CID 46278125
2-[(1R)-3-oxo-3-(4-phenylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)propyl]-3H-isoindol-1-one
CID 92691189
2-[2-[16-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-2-oxoethyl]isoindole-1,3-dione
CID 2829028
2-[(1S)-3-(4-ethylpiperazin-1-yl)-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]-3H-isoindol-1-one
CID 92691248

Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)-3H-isoindol-1-one?
The IUPAC name of 2-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)-3H-isoindol-1-one (CID 46278052) is 2-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)-3H-isoindol-1-one.
What is the SMILES notation for 2-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)-3H-isoindol-1-one?
The canonical SMILES for 2-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)-3H-isoindol-1-one is O=C(CC(c1cccs1)N1Cc2ccccc2C1=O)N1CCOCC1.
What is the InChIKey of 2-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)-3H-isoindol-1-one?
The InChIKey is DSZWKVCKUWUJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c22-18(20-7-9-24-10-8-20)12-16(17-6-3-11-25-17)21-13-14-4-1-2-5-15(14)19(21)23/h1-6,11,16H,7-10,12-13H2.
What are the key properties of 2-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)-3H-isoindol-1-one?
2-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)-3H-isoindol-1-one has a molecular weight of 356.45 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)-3H-isoindol-1-one is sourced from PubChem (CID 46278052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).