2-(2-aminophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone

C16H16N2OS — CID 648920

IUPAC2-(2-aminophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
SMILESNc1ccccc1SCC(=O)N1CCc2ccccc21
InChIInChI=1S/C16H16N2OS/c17-13-6-2-4-8-15(13)20-11-16(19)18-10-9-12-5-1-3-7-14(12)18/h1-8H,9-11,17H2
InChIKeyTXTZGTZNCXXDMR-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.95
Rot. Bonds3

About 2-(2-aminophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone

2-(2-aminophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 648920) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID648920
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2-(2-aminophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
SMILESNc1ccccc1SCC(=O)N1CCc2ccccc21
InChIInChI=1S/C16H16N2OS/c17-13-6-2-4-8-15(13)20-11-16(19)18-10-9-12-5-1-3-7-14(12)18/h1-8H,9-11,17H2
InChIKeyTXTZGTZNCXXDMR-UHFFFAOYSA-N
XLogP2.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Cinanserin
CID 5475158
Cinanserin Hydrochloride
CID 6433141
3-Benzyl-2(3H)-benzothiazolone
CID 853901
1-(2,3-Dihydro-indol-1-yl)-2-p-tolylsulfanyl-ethanone
CID 738380
3-[4-[4-(2-Methylphenyl)piperazin-1-yl]butyl]-1,3-benzothiazol-2-one
CID 118713589
N-(2-methylphenyl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
CID 954269
N-[4-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl]acetamide
CID 3630500
1-(2,3-Dihydroindol-1-yl)-3-(4-methylphenyl)sulfonylpropan-1-one
CID 759092
N-[2-[3-(dimethylamino)propylthio]phenyl]-3-phenyl-2-propenamide
CID 5913
1-(2,3-Dihydroindol-1-yl)-2-(phenylthio)ethanone
CID 736577
6-[2-(4-Phenyl-piperazin-1-yl)-ethyl]-3H-benzothiazol-2-one
CID 10759541
(R)-3-(3-(methylamino)-1-phenylpropyl)benzo[d]thiazol-2(3H)-one
CID 16067734

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone (CID 648920) is 2-(2-aminophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone is Nc1ccccc1SCC(=O)N1CCc2ccccc21.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is TXTZGTZNCXXDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c17-13-6-2-4-8-15(13)20-11-16(19)18-10-9-12-5-1-3-7-14(12)18/h1-8H,9-11,17H2.
What are the key properties of 2-(2-aminophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone?
2-(2-aminophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 284.38 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 648920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).