2,3-dihydroindol-1-yl-[2-(2-methoxyethylsulfanyl)phenyl]methanone

C18H19NO2S — CID 2218455

IUPAC2,3-dihydroindol-1-yl-[2-(2-methoxyethylsulfanyl)phenyl]methanone
SMILESCOCCSc1ccccc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H19NO2S/c1-21-12-13-22-17-9-5-3-7-15(17)18(20)19-11-10-14-6-2-4-8-16(14)19/h2-9H,10-13H2,1H3
InChIKeyCVBDEKSOLXHUBU-UHFFFAOYSA-N
MW313.42 g/mol
LogP3.63
Rot. Bonds5

About 2,3-dihydroindol-1-yl-[2-(2-methoxyethylsulfanyl)phenyl]methanone

2,3-dihydroindol-1-yl-[2-(2-methoxyethylsulfanyl)phenyl]methanone (PubChem CID 2218455) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[2-(2-methoxyethylsulfanyl)phenyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[2-(2-methoxyethylsulfanyl)phenyl]methanone
PubChem CID2218455
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name2,3-dihydroindol-1-yl-[2-(2-methoxyethylsulfanyl)phenyl]methanone
SMILESCOCCSc1ccccc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H19NO2S/c1-21-12-13-22-17-9-5-3-7-15(17)18(20)19-11-10-14-6-2-4-8-16(14)19/h2-9H,10-13H2,1H3
InChIKeyCVBDEKSOLXHUBU-UHFFFAOYSA-N
XLogP3.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzamide
CID 16749996
1-[2-(phenylsulfonyl)ethyl]-1H-indole-2,3-dione
CID 8056910
1-(2,3-Dihydro-indol-1-yl)-2-p-tolylsulfanyl-ethanone
CID 738380
S-[2-(methylanilino)-2-oxoethyl] benzenecarbothioate
CID 820087
1-(2,3-Dihydroindol-1-yl)-2-(phenylthio)ethanone
CID 736577
3-(phenylthio)-N-[2-(1-pyrrolidinylcarbonyl)phenyl]propanamide
CID 1309387
1-methyl-3-[2-oxo-2-(2-thienyl)ethylidene]-1,3-dihydro-2H-indol-2-one
CID 2199895
2,3-Dihydroindol-1-yl-(5-ethyl-4-methylthiophen-2-yl)methanone
CID 2576382
1-(2-Methyl-2,3-dihydroindol-1-yl)-2-phenylsulfanylethanone
CID 3435469
N,N-diethyl-2-[(3-oxo-2-phenyl-2,3-dihydro-1H-isoindol-1-yl)sulfanyl]acetamide
CID 3782612
2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}benzoic acid
CID 3810088
N-{[1-(4-Methylbenzoyl)-2,3-dihydro-1H-indol-5-YL]methyl}-2-(phenylsulfanyl)acetamide
CID 16033339

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[2-(2-methoxyethylsulfanyl)phenyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[2-(2-methoxyethylsulfanyl)phenyl]methanone (CID 2218455) is 2,3-dihydroindol-1-yl-[2-(2-methoxyethylsulfanyl)phenyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[2-(2-methoxyethylsulfanyl)phenyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[2-(2-methoxyethylsulfanyl)phenyl]methanone is COCCSc1ccccc1C(=O)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[2-(2-methoxyethylsulfanyl)phenyl]methanone?
The InChIKey is CVBDEKSOLXHUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-21-12-13-22-17-9-5-3-7-15(17)18(20)19-11-10-14-6-2-4-8-16(14)19/h2-9H,10-13H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-[2-(2-methoxyethylsulfanyl)phenyl]methanone?
2,3-dihydroindol-1-yl-[2-(2-methoxyethylsulfanyl)phenyl]methanone has a molecular weight of 313.42 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[2-(2-methoxyethylsulfanyl)phenyl]methanone is sourced from PubChem (CID 2218455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).