1-(2,6-dimethyl-1H-indol-3-yl)-2-phenylsulfanylethanone

C18H17NOS — CID 744311

IUPAC1-(2,6-dimethyl-1H-indol-3-yl)-2-phenylsulfanylethanone
SMILESCc1ccc2c(C(=O)CSc3ccccc3)c(C)[nH]c2c1
InChIInChI=1S/C18H17NOS/c1-12-8-9-15-16(10-12)19-13(2)18(15)17(20)11-21-14-6-4-3-5-7-14/h3-10,19H,11H2,1-2H3
InChIKeyJMOQBPQDFVOMER-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.76
Rot. Bonds4

About 1-(2,6-dimethyl-1H-indol-3-yl)-2-phenylsulfanylethanone

1-(2,6-dimethyl-1H-indol-3-yl)-2-phenylsulfanylethanone (PubChem CID 744311) has the molecular formula C18H17NOS and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-(2,6-dimethyl-1H-indol-3-yl)-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-(2,6-dimethyl-1H-indol-3-yl)-2-phenylsulfanylethanone
PubChem CID744311
Molecular FormulaC18H17NOS
Molecular Weight295.41 g/mol
Exact Mass295.10
IUPAC Name1-(2,6-dimethyl-1H-indol-3-yl)-2-phenylsulfanylethanone
SMILESCc1ccc2c(C(=O)CSc3ccccc3)c(C)[nH]c2c1
InChIInChI=1S/C18H17NOS/c1-12-8-9-15-16(10-12)19-13(2)18(15)17(20)11-21-14-6-4-3-5-7-14/h3-10,19H,11H2,1-2H3
InChIKeyJMOQBPQDFVOMER-UHFFFAOYSA-N
XLogP4.76
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Phenyl-1H-indol-3-yl)ethanone
CID 613364
Brassicanal A
CID 443054
1-(2-methyl-1H-indol-3-yl)ethan-1-one
CID 285754
Cyclobrassinone
CID 405275
2,3-dimethyl-4-(3-(vinylsulfonamido)phenyl)-1H-indole-7-carboxamide
CID 121293857
4-[3-(ethenylsulfonylamino)-2-methylphenyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 121294143
1-(2-methyl-1H-indol-3-yl)-2-(pyridin-2-ylsulfanyl)ethanone
CID 753522
Carbazoquinocin C
CID 10335508
2-Acetylcarbazole
CID 267332
1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 660035
N,N-dihexyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide
CID 122183512
1-(2,6-dimethyl-1H-indol-3-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 3847989

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-1H-indol-3-yl)-2-phenylsulfanylethanone?
The IUPAC name of 1-(2,6-dimethyl-1H-indol-3-yl)-2-phenylsulfanylethanone (CID 744311) is 1-(2,6-dimethyl-1H-indol-3-yl)-2-phenylsulfanylethanone.
What is the SMILES notation for 1-(2,6-dimethyl-1H-indol-3-yl)-2-phenylsulfanylethanone?
The canonical SMILES for 1-(2,6-dimethyl-1H-indol-3-yl)-2-phenylsulfanylethanone is Cc1ccc2c(C(=O)CSc3ccccc3)c(C)[nH]c2c1.
What is the InChIKey of 1-(2,6-dimethyl-1H-indol-3-yl)-2-phenylsulfanylethanone?
The InChIKey is JMOQBPQDFVOMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS/c1-12-8-9-15-16(10-12)19-13(2)18(15)17(20)11-21-14-6-4-3-5-7-14/h3-10,19H,11H2,1-2H3.
What are the key properties of 1-(2,6-dimethyl-1H-indol-3-yl)-2-phenylsulfanylethanone?
1-(2,6-dimethyl-1H-indol-3-yl)-2-phenylsulfanylethanone has a molecular weight of 295.41 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-1H-indol-3-yl)-2-phenylsulfanylethanone is sourced from PubChem (CID 744311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).