2-(5-methylindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone

C16H15NOS — CID 63554603

IUPAC2-(5-methylindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc2c(ccn2CC(=O)c2ccc(C)s2)c1
InChIInChI=1S/C16H15NOS/c1-11-3-5-14-13(9-11)7-8-17(14)10-15(18)16-6-4-12(2)19-16/h3-9H,10H2,1-2H3
InChIKeyRJVIHGZMXDHBID-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.20
Rot. Bonds3

About 2-(5-methylindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone

2-(5-methylindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 63554603) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(5-methylindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(5-methylindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone
PubChem CID63554603
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name2-(5-methylindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc2c(ccn2CC(=O)c2ccc(C)s2)c1
InChIInChI=1S/C16H15NOS/c1-11-3-5-14-13(9-11)7-8-17(14)10-15(18)16-6-4-12(2)19-16/h3-9H,10H2,1-2H3
InChIKeyRJVIHGZMXDHBID-UHFFFAOYSA-N
XLogP4.20
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-(5-methylindol-1-yl)ethanone
CID 63554614
2-(5-ethoxyindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 80649251
1-(5-bromothiophen-2-yl)-2-(5-methoxyindol-1-yl)ethanone
CID 62023000
1-(3-chlorophenyl)-2-(5-methylindol-1-yl)ethanone
CID 63554610
4-[2-(5-methylindol-1-yl)acetyl]benzonitrile
CID 63554605
1-methoxy-3-(5-methylindol-1-yl)propan-2-one
CID 107507773
N-ethyl-2-(5-methylindol-1-yl)acetamide
CID 116623028
2-(5-bromoindol-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 63567580
2-(5-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 116623041
5-methyl-4-[(5-methylindol-1-yl)methyl]thiophene-2-carboxylic acid
CID 80731244
2-(5-chloroindol-1-yl)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 63878175
1-[2-(5-methylindol-1-yl)acetyl]piperidin-4-one
CID 63555836

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-(5-methylindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone (CID 63554603) is 2-(5-methylindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(5-methylindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(5-methylindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone is Cc1ccc2c(ccn2CC(=O)c2ccc(C)s2)c1.
What is the InChIKey of 2-(5-methylindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is RJVIHGZMXDHBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c1-11-3-5-14-13(9-11)7-8-17(14)10-15(18)16-6-4-12(2)19-16/h3-9H,10H2,1-2H3.
What are the key properties of 2-(5-methylindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone?
2-(5-methylindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone has a molecular weight of 269.37 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 63554603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).