2-(2-methylindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone

C18H17NOS — CID 62024292

IUPAC2-(2-methylindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(C(=O)Cn2c(C)cc3ccccc32)cc1
InChIInChI=1S/C18H17NOS/c1-13-11-15-5-3-4-6-17(15)19(13)12-18(20)14-7-9-16(21-2)10-8-14/h3-11H,12H2,1-2H3
InChIKeyFBNVCTLFUKGEJU-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.55
Rot. Bonds4

About 2-(2-methylindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone

2-(2-methylindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone (PubChem CID 62024292) has the molecular formula C18H17NOS and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-(2-methylindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-methylindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone
PubChem CID62024292
Molecular FormulaC18H17NOS
Molecular Weight295.41 g/mol
Exact Mass295.10
IUPAC Name2-(2-methylindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(C(=O)Cn2c(C)cc3ccccc32)cc1
InChIInChI=1S/C18H17NOS/c1-13-11-15-5-3-4-6-17(15)19(13)12-18(20)14-7-9-16(21-2)10-8-14/h3-11H,12H2,1-2H3
InChIKeyFBNVCTLFUKGEJU-UHFFFAOYSA-N
XLogP4.55
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 62023736
sodium 2-(2-methylindol-1-yl)acetate
CID 18735252
3-methyl-1-(2-methylindol-1-yl)butan-2-one
CID 12795650
2-(1,3-dihydroisoindol-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 62206768
propan-2-yl 2-(2-methylindol-1-yl)acetate
CID 54940863
2-(3-chloroindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 63566698
2-(2-methylindol-1-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 4173283
4-fluoro-3-[(2-methylindol-1-yl)methyl]benzamide
CID 63810152
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2-methylindol-1-yl)acetamide
CID 107844939
1-(4-methylsulfanylphenyl)-2-phenylsulfanylethanone
CID 43413317
N-[(2S)-1-methoxypropan-2-yl]-2-(2-methylindol-1-yl)acetamide
CID 33342108
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 61347883

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone?
The IUPAC name of 2-(2-methylindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone (CID 62024292) is 2-(2-methylindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-(2-methylindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone?
The canonical SMILES for 2-(2-methylindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone is CSc1ccc(C(=O)Cn2c(C)cc3ccccc32)cc1.
What is the InChIKey of 2-(2-methylindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone?
The InChIKey is FBNVCTLFUKGEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS/c1-13-11-15-5-3-4-6-17(15)19(13)12-18(20)14-7-9-16(21-2)10-8-14/h3-11H,12H2,1-2H3.
What are the key properties of 2-(2-methylindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone?
2-(2-methylindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone has a molecular weight of 295.41 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 62024292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).