2-[2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylethyl]isoindole-1,3-dione

C24H23N3O4S — CID 30291360

IUPAC2-[2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylethyl]isoindole-1,3-dione
SMILESO=C(Cn1cc(SCCN2C(=O)c3ccccc3C2=O)c2ccccc21)N1CCOCC1
InChIInChI=1S/C24H23N3O4S/c28-22(25-9-12-31-13-10-25)16-26-15-21(19-7-3-4-8-20(19)26)32-14-11-27-23(29)17-5-1-2-6-18(17)24(27)30/h1-8,15H,9-14,16H2
InChIKeyVRQYQNIHLKZKPL-UHFFFAOYSA-N
MW449.53 g/mol
LogP2.89
Rot. Bonds6

About 2-[2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylethyl]isoindole-1,3-dione

2-[2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylethyl]isoindole-1,3-dione (PubChem CID 30291360) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 2-[2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylethyl]isoindole-1,3-dione
PubChem CID30291360
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name2-[2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylethyl]isoindole-1,3-dione
SMILESO=C(Cn1cc(SCCN2C(=O)c3ccccc3C2=O)c2ccccc21)N1CCOCC1
InChIInChI=1S/C24H23N3O4S/c28-22(25-9-12-31-13-10-25)16-26-15-21(19-7-3-4-8-20(19)26)32-14-11-27-23(29)17-5-1-2-6-18(17)24(27)30/h1-8,15H,9-14,16H2
InChIKeyVRQYQNIHLKZKPL-UHFFFAOYSA-N
XLogP2.89
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide
CID 20902534
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-(3-morpholin-4-yl-3-oxopropyl)isoindole-1,3-dione
CID 594743
N-(2,4-difluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide
CID 20902519
N-(2,4-dimethylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide
CID 20902511
2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 20902541
1-morpholin-4-yl-2-[3-(nitrosomethyl)indol-1-yl]ethanone
CID 91897411
2-(6-morpholin-4-yl-6-oxohexyl)isoindole-1,3-dione
CID 3620620
2-[3-(hydroxyiminomethyl)indol-1-yl]-1-morpholin-4-ylethanone
CID 662696
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanylacetonitrile
CID 18563347
N-methyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902440
5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 3788100

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylethyl]isoindole-1,3-dione (CID 30291360) is 2-[2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylethyl]isoindole-1,3-dione is O=C(Cn1cc(SCCN2C(=O)c3ccccc3C2=O)c2ccccc21)N1CCOCC1.
What is the InChIKey of 2-[2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylethyl]isoindole-1,3-dione?
The InChIKey is VRQYQNIHLKZKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c28-22(25-9-12-31-13-10-25)16-26-15-21(19-7-3-4-8-20(19)26)32-14-11-27-23(29)17-5-1-2-6-18(17)24(27)30/h1-8,15H,9-14,16H2.
What are the key properties of 2-[2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylethyl]isoindole-1,3-dione?
2-[2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylethyl]isoindole-1,3-dione has a molecular weight of 449.53 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylethyl]isoindole-1,3-dione is sourced from PubChem (CID 30291360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).