2-[2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanylethyl]isoindole-1,3-dione

C21H20N2O3S — CID 2093701

IUPAC2-[2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanylethyl]isoindole-1,3-dione
SMILESC[C@@H]1Cc2ccccc2N1C(=O)CSCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H20N2O3S/c1-14-12-15-6-2-5-9-18(15)23(14)19(24)13-27-11-10-22-20(25)16-7-3-4-8-17(16)21(22)26/h2-9,14H,10-13H2,1H3/t14-/m1/s1
InChIKeyGFRJVNCJEDGXRA-CQSZACIVSA-N
MW380.47 g/mol
LogP2.99
Rot. Bonds5

About 2-[2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanylethyl]isoindole-1,3-dione

2-[2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanylethyl]isoindole-1,3-dione (PubChem CID 2093701) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-[2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanylethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanylethyl]isoindole-1,3-dione
PubChem CID2093701
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name2-[2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanylethyl]isoindole-1,3-dione
SMILESC[C@@H]1Cc2ccccc2N1C(=O)CSCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H20N2O3S/c1-14-12-15-6-2-5-9-18(15)23(14)19(24)13-27-11-10-22-20(25)16-7-3-4-8-17(16)21(22)26/h2-9,14H,10-13H2,1H3/t14-/m1/s1
InChIKeyGFRJVNCJEDGXRA-CQSZACIVSA-N
XLogP2.99
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanylethyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione
CID 17403440
3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanylpropanoic acid
CID 93299689
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-phenylpropylsulfanyl)ethanone
CID 5149446
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 2338135
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 9363165
1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione
CID 8626165
(3aR,7aR)-2-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 129419249
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 78502439
2-[(3,4-dichlorophenyl)methylsulfanyl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 94843314
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenyl)sulfanylethanone
CID 112759379
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108873784

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanylethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanylethyl]isoindole-1,3-dione (CID 2093701) is 2-[2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanylethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanylethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanylethyl]isoindole-1,3-dione is C[C@@H]1Cc2ccccc2N1C(=O)CSCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanylethyl]isoindole-1,3-dione?
The InChIKey is GFRJVNCJEDGXRA-CQSZACIVSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-14-12-15-6-2-5-9-18(15)23(14)19(24)13-27-11-10-22-20(25)16-7-3-4-8-17(16)21(22)26/h2-9,14H,10-13H2,1H3/t14-/m1/s1.
What are the key properties of 2-[2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanylethyl]isoindole-1,3-dione?
2-[2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanylethyl]isoindole-1,3-dione has a molecular weight of 380.47 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanylethyl]isoindole-1,3-dione is sourced from PubChem (CID 2093701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).