2,3-dihydroindol-1-yl-(2-methoxy-4-methylsulfanylphenyl)methanone

C17H17NO2S — CID 602616

IUPAC2,3-dihydroindol-1-yl-(2-methoxy-4-methylsulfanylphenyl)methanone
SMILESCOc1cc(SC)ccc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C17H17NO2S/c1-20-16-11-13(21-2)7-8-14(16)17(19)18-10-9-12-5-3-4-6-15(12)18/h3-8,11H,9-10H2,1-2H3
InChIKeyZJPFJGBVTREIKY-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.62
Rot. Bonds3

About 2,3-dihydroindol-1-yl-(2-methoxy-4-methylsulfanylphenyl)methanone

2,3-dihydroindol-1-yl-(2-methoxy-4-methylsulfanylphenyl)methanone (PubChem CID 602616) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(2-methoxy-4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(2-methoxy-4-methylsulfanylphenyl)methanone
PubChem CID602616
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name2,3-dihydroindol-1-yl-(2-methoxy-4-methylsulfanylphenyl)methanone
SMILESCOc1cc(SC)ccc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C17H17NO2S/c1-20-16-11-13(21-2)7-8-14(16)17(19)18-10-9-12-5-3-4-6-15(12)18/h3-8,11H,9-10H2,1-2H3
InChIKeyZJPFJGBVTREIKY-UHFFFAOYSA-N
XLogP3.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-(4-methylphenyl)-4-(methylthio)benzamide
CID 842272
N-benzyl-2-methoxy-4-methylsulfanyl-N-phenylbenzamide
CID 24671646
2-methoxy-4-methylsulfanyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
CID 602438
1-[2-Methoxy-4-(methylsulfanyl)benzoyl]-4-(2-methoxyphenyl)piperazine
CID 1147568
(2-Methoxy-4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 669785
2-methoxy-4-(methylsulfanyl)-N-phenylbenzamide
CID 669865
N-benzyl-2-methoxy-N-methyl-4-(methylthio)benzamide
CID 670178
N-(2-cyanophenyl)-2-methoxy-4-(methylsulfanyl)benzamide
CID 670182
1-(2-Methoxybenzoyl)indoline
CID 738379
N-(2,4-dimethylphenyl)-2-methoxy-4-(methylthio)benzamide
CID 885007
2-methoxy-N-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethanethioyl]benzamide
CID 2428528
[4-(4-Hydroxyphenyl)-1-piperazinyl]-[2-methoxy-4-(methylthio)phenyl]methanone
CID 2447555

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(2-methoxy-4-methylsulfanylphenyl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(2-methoxy-4-methylsulfanylphenyl)methanone (CID 602616) is 2,3-dihydroindol-1-yl-(2-methoxy-4-methylsulfanylphenyl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(2-methoxy-4-methylsulfanylphenyl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(2-methoxy-4-methylsulfanylphenyl)methanone is COc1cc(SC)ccc1C(=O)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-(2-methoxy-4-methylsulfanylphenyl)methanone?
The InChIKey is ZJPFJGBVTREIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-20-16-11-13(21-2)7-8-14(16)17(19)18-10-9-12-5-3-4-6-15(12)18/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 2,3-dihydroindol-1-yl-(2-methoxy-4-methylsulfanylphenyl)methanone?
2,3-dihydroindol-1-yl-(2-methoxy-4-methylsulfanylphenyl)methanone has a molecular weight of 299.40 g/mol, XLogP of 3.62, 3 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-methoxy-4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 602616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).