1-(6-methyl-1H-indol-3-yl)-2-phenylsulfanylethanone

C17H15NOS — CID 913288

IUPAC1-(6-methyl-1H-indol-3-yl)-2-phenylsulfanylethanone
SMILESCc1ccc2c(C(=O)CSc3ccccc3)c[nH]c2c1
InChIInChI=1S/C17H15NOS/c1-12-7-8-14-15(10-18-16(14)9-12)17(19)11-20-13-5-3-2-4-6-13/h2-10,18H,11H2,1H3
InChIKeyQBGURBIEHHEHBH-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.45
Rot. Bonds4

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

1-(6-methyl-1H-indol-3-yl)-2-phenylsulfanylethanone (PubChem CID 913288) has the molecular formula C17H15NOS and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-(6-methyl-1H-indol-3-yl)-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-(6-methyl-1H-indol-3-yl)-2-phenylsulfanylethanone
PubChem CID913288
Molecular FormulaC17H15NOS
Molecular Weight281.38 g/mol
Exact Mass281.09
IUPAC Name1-(6-methyl-1H-indol-3-yl)-2-phenylsulfanylethanone
SMILESCc1ccc2c(C(=O)CSc3ccccc3)c[nH]c2c1
InChIInChI=1S/C17H15NOS/c1-12-7-8-14-15(10-18-16(14)9-12)17(19)11-20-13-5-3-2-4-6-13/h2-10,18H,11H2,1H3
InChIKeyQBGURBIEHHEHBH-UHFFFAOYSA-N
XLogP4.45
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-methyl-1H-indol-3-yl)-2-(2-methylphenyl)ethanone
CID 43341943
2-chloro-1-(6-methyl-1H-indol-3-yl)-2-phenylethanone
CID 90302343
2-(2-methoxyphenyl)-1-(6-methyl-1H-indol-3-yl)ethanone
CID 43163430
2-(diethylamino)-1-(6-methyl-1H-indol-3-yl)ethanone
CID 904242
[2-(1H-indol-3-yl)-2-oxoethyl] 2-phenylsulfanylacetate
CID 3362624
2-cycloheptyl-1-(6-methyl-1H-indol-3-yl)ethanone
CID 114457331
1-(6-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one
CID 96679275
(2-amino-5-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 65453793
ethyl 2-(6-methyl-1H-indol-3-yl)-2-oxoacetate
CID 55017679
1-(3,5-dimethylphenyl)-2-phenylsulfanylethanone
CID 65142436
1-(1H-indol-3-yl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 2078186
1-(1H-indol-3-yl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 7897798

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-1H-indol-3-yl)-2-phenylsulfanylethanone?
The IUPAC name of 1-(6-methyl-1H-indol-3-yl)-2-phenylsulfanylethanone (CID 913288) is 1-(6-methyl-1H-indol-3-yl)-2-phenylsulfanylethanone.
What is the SMILES notation for 1-(6-methyl-1H-indol-3-yl)-2-phenylsulfanylethanone?
The canonical SMILES for 1-(6-methyl-1H-indol-3-yl)-2-phenylsulfanylethanone is Cc1ccc2c(C(=O)CSc3ccccc3)c[nH]c2c1.
What is the InChIKey of 1-(6-methyl-1H-indol-3-yl)-2-phenylsulfanylethanone?
The InChIKey is QBGURBIEHHEHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NOS/c1-12-7-8-14-15(10-18-16(14)9-12)17(19)11-20-13-5-3-2-4-6-13/h2-10,18H,11H2,1H3.
What are the key properties of 1-(6-methyl-1H-indol-3-yl)-2-phenylsulfanylethanone?
1-(6-methyl-1H-indol-3-yl)-2-phenylsulfanylethanone has a molecular weight of 281.38 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-1H-indol-3-yl)-2-phenylsulfanylethanone is sourced from PubChem (CID 913288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).