2-benzhydrylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone

C23H21NOS — CID 18275650

IUPAC2-benzhydrylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CSC(c1ccccc1)c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C23H21NOS/c25-22(24-16-15-18-9-7-8-14-21(18)24)17-26-23(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-14,23H,15-17H2
InChIKeyNJZVNUUUGPMKSF-UHFFFAOYSA-N
MW359.49 g/mol
LogP5.10
Rot. Bonds5

About 2-benzhydrylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone

2-benzhydrylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 18275650) has the molecular formula C23H21NOS and a molecular weight of 359.49 g/mol. Its IUPAC name is 2-benzhydrylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-benzhydrylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID18275650
Molecular FormulaC23H21NOS
Molecular Weight359.49 g/mol
Exact Mass359.13
IUPAC Name2-benzhydrylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CSC(c1ccccc1)c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C23H21NOS/c25-22(24-16-15-18-9-7-8-14-21(18)24)17-26-23(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-14,23H,15-17H2
InChIKeyNJZVNUUUGPMKSF-UHFFFAOYSA-N
XLogP5.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.49
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 2382799
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
2-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 738382
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylsulfanylethanone
CID 3476595
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylbutanoic acid
CID 82180569
2-amino-1-(2,3-dihydroindol-1-yl)-2-phenylethanone
CID 20930646
6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid
CID 22906002
(2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one
CID 134943813
2-(4-amino-2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 43305239
3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one
CID 64686330

Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-benzhydrylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone (CID 18275650) is 2-benzhydrylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-benzhydrylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-benzhydrylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone is O=C(CSC(c1ccccc1)c1ccccc1)N1CCc2ccccc21.
What is the InChIKey of 2-benzhydrylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is NJZVNUUUGPMKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NOS/c25-22(24-16-15-18-9-7-8-14-21(18)24)17-26-23(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-14,23H,15-17H2.
What are the key properties of 2-benzhydrylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone?
2-benzhydrylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 359.49 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 18275650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).