3-benzylsulfanyl-1-methyl-3-phenylindol-2-one

C22H19NOS — CID 102460553

IUPAC3-benzylsulfanyl-1-methyl-3-phenylindol-2-one
SMILESCN1C(=O)C(SCc2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C22H19NOS/c1-23-20-15-9-8-14-19(20)22(21(23)24,18-12-6-3-7-13-18)25-16-17-10-4-2-5-11-17/h2-15H,16H2,1H3
InChIKeyJZYSVDRBHHKDRP-UHFFFAOYSA-N
MW345.47 g/mol
LogP4.84
Rot. Bonds4

About 3-benzylsulfanyl-1-methyl-3-phenylindol-2-one

3-benzylsulfanyl-1-methyl-3-phenylindol-2-one (PubChem CID 102460553) has the molecular formula C22H19NOS and a molecular weight of 345.47 g/mol. Its IUPAC name is 3-benzylsulfanyl-1-methyl-3-phenylindol-2-one.

Molecular Properties

Compound Name3-benzylsulfanyl-1-methyl-3-phenylindol-2-one
PubChem CID102460553
Molecular FormulaC22H19NOS
Molecular Weight345.47 g/mol
Exact Mass345.12
IUPAC Name3-benzylsulfanyl-1-methyl-3-phenylindol-2-one
SMILESCN1C(=O)C(SCc2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C22H19NOS/c1-23-20-15-9-8-14-19(20)22(21(23)24,18-12-6-3-7-13-18)25-16-17-10-4-2-5-11-17/h2-15H,16H2,1H3
InChIKeyJZYSVDRBHHKDRP-UHFFFAOYSA-N
XLogP4.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-Dihydro-indol-1-yl)-2-p-tolylsulfanyl-ethanone
CID 738380
1-(2,3-Dihydroindol-1-yl)-2-(phenylthio)ethanone
CID 736577
1-(2,3-dihydro-1H-indol-1-yl)-2-phenylethanone
CID 740883
1-(2,3-Dihydroindol-1-yl)-4-phenylbutan-1-one
CID 807668
3-Ethyl-1-methyl-3-[4-(4-phenylpiperazin-1-yl)butyl]indol-2-one
CID 24854108
(3Z)-1-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]indol-2-one
CID 58795397
3-Ethyl-1-methyl-1,3-dihydro-2H-indol-2-one
CID 247491
2-Benzylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 890322
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1-phenylindol-2-one
CID 964143
1-(2,3-dihydro-1H-indol-1-yl)-3-phenylbutan-1-one
CID 2914368
1-(2-Methyl-2,3-dihydroindol-1-yl)-2-phenylsulfanylethanone
CID 3435469
3-(3-butenyl)-3-methyl-1-phenyl-1,3-dihydro-2H-indol-2-one
CID 3488512

Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfanyl-1-methyl-3-phenylindol-2-one?
The IUPAC name of 3-benzylsulfanyl-1-methyl-3-phenylindol-2-one (CID 102460553) is 3-benzylsulfanyl-1-methyl-3-phenylindol-2-one.
What is the SMILES notation for 3-benzylsulfanyl-1-methyl-3-phenylindol-2-one?
The canonical SMILES for 3-benzylsulfanyl-1-methyl-3-phenylindol-2-one is CN1C(=O)C(SCc2ccccc2)(c2ccccc2)c2ccccc21.
What is the InChIKey of 3-benzylsulfanyl-1-methyl-3-phenylindol-2-one?
The InChIKey is JZYSVDRBHHKDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NOS/c1-23-20-15-9-8-14-19(20)22(21(23)24,18-12-6-3-7-13-18)25-16-17-10-4-2-5-11-17/h2-15H,16H2,1H3.
What are the key properties of 3-benzylsulfanyl-1-methyl-3-phenylindol-2-one?
3-benzylsulfanyl-1-methyl-3-phenylindol-2-one has a molecular weight of 345.47 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfanyl-1-methyl-3-phenylindol-2-one is sourced from PubChem (CID 102460553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).