1-(2,3-dihydroindol-1-yl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]propan-1-one

C19H20FNO2S — CID 78851365

IUPAC1-(2,3-dihydroindol-1-yl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]propan-1-one
SMILESCOc1ccc(CSC(C)C(=O)N2CCc3ccccc32)cc1F
InChIInChI=1S/C19H20FNO2S/c1-13(24-12-14-7-8-18(23-2)16(20)11-14)19(22)21-10-9-15-5-3-4-6-17(15)21/h3-8,11,13H,9-10,12H2,1-2H3
InChIKeySMJZFCHSHMEBAP-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.05
Rot. Bonds5

About 1-(2,3-dihydroindol-1-yl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]propan-1-one

1-(2,3-dihydroindol-1-yl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]propan-1-one (PubChem CID 78851365) has the molecular formula C19H20FNO2S and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]propan-1-one
PubChem CID78851365
Molecular FormulaC19H20FNO2S
Molecular Weight345.44 g/mol
Exact Mass345.12
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]propan-1-one
SMILESCOc1ccc(CSC(C)C(=O)N2CCc3ccccc32)cc1F
InChIInChI=1S/C19H20FNO2S/c1-13(24-12-14-7-8-18(23-2)16(20)11-14)19(22)21-10-9-15-5-3-4-6-17(15)21/h3-8,11,13H,9-10,12H2,1-2H3
InChIKeySMJZFCHSHMEBAP-UHFFFAOYSA-N
XLogP4.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydroindol-1-yl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]propan-1-one with MolForge

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Related Compounds

(2S)-1-(2,3-dihydroindol-1-yl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propan-1-one
CID 39948944
(2S)-1-(2,3-dihydroindol-1-yl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 8774476
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
CID 42900917
1-(2,3-dihydroindol-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propan-1-one
CID 56817062
(2S)-1-(2,3-dihydroindol-1-yl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]propan-1-one
CID 2455303
N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-N-methylpropanamide
CID 78851363
[4-(difluoromethoxy)-3-methoxyphenyl]methyl-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylazanium
CID 7509381
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 4943179
(2R)-1-(2,3-dihydroindol-1-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propan-1-one
CID 8515151
[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667253
1-(2,3-dihydroindol-1-yl)-2-(4-methoxy-3-methylanilino)propan-1-one
CID 87033332
1-(3-fluoro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 66052472

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]propan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]propan-1-one (CID 78851365) is 1-(2,3-dihydroindol-1-yl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]propan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]propan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]propan-1-one is COc1ccc(CSC(C)C(=O)N2CCc3ccccc32)cc1F.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]propan-1-one?
The InChIKey is SMJZFCHSHMEBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2S/c1-13(24-12-14-7-8-18(23-2)16(20)11-14)19(22)21-10-9-15-5-3-4-6-17(15)21/h3-8,11,13H,9-10,12H2,1-2H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]propan-1-one?
1-(2,3-dihydroindol-1-yl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]propan-1-one has a molecular weight of 345.44 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]propan-1-one is sourced from PubChem (CID 78851365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).