2,3-dihydroindol-1-yl-(2-ethylsulfanylphenyl)methanone

C17H17NOS — CID 971268

IUPAC2,3-dihydroindol-1-yl-(2-ethylsulfanylphenyl)methanone
SMILESCCSc1ccccc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C17H17NOS/c1-2-20-16-10-6-4-8-14(16)17(19)18-12-11-13-7-3-5-9-15(13)18/h3-10H,2,11-12H2,1H3
InChIKeyPUWHJASGCCODMQ-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.00
Rot. Bonds3

About 2,3-dihydroindol-1-yl-(2-ethylsulfanylphenyl)methanone

2,3-dihydroindol-1-yl-(2-ethylsulfanylphenyl)methanone (PubChem CID 971268) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(2-ethylsulfanylphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(2-ethylsulfanylphenyl)methanone
PubChem CID971268
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name2,3-dihydroindol-1-yl-(2-ethylsulfanylphenyl)methanone
SMILESCCSc1ccccc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C17H17NOS/c1-2-20-16-10-6-4-8-14(16)17(19)18-12-11-13-7-3-5-9-15(13)18/h3-10H,2,11-12H2,1H3
InChIKeyPUWHJASGCCODMQ-UHFFFAOYSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(2-ethylsulfanylphenyl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(2-ethylsulfanylphenyl)methanone (CID 971268) is 2,3-dihydroindol-1-yl-(2-ethylsulfanylphenyl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(2-ethylsulfanylphenyl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(2-ethylsulfanylphenyl)methanone is CCSc1ccccc1C(=O)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-(2-ethylsulfanylphenyl)methanone?
The InChIKey is PUWHJASGCCODMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-2-20-16-10-6-4-8-14(16)17(19)18-12-11-13-7-3-5-9-15(13)18/h3-10H,2,11-12H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-(2-ethylsulfanylphenyl)methanone?
2,3-dihydroindol-1-yl-(2-ethylsulfanylphenyl)methanone has a molecular weight of 283.40 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-(2-ethylsulfanylphenyl)methanone is sourced from PubChem (CID 971268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).