2-(5-chloroindol-1-yl)-1-(2,5-dimethylthiophen-3-yl)ethanone

C16H14ClNOS — CID 63878175

IUPAC2-(5-chloroindol-1-yl)-1-(2,5-dimethylthiophen-3-yl)ethanone
SMILESCc1cc(C(=O)Cn2ccc3cc(Cl)ccc32)c(C)s1
InChIInChI=1S/C16H14ClNOS/c1-10-7-14(11(2)20-10)16(19)9-18-6-5-12-8-13(17)3-4-15(12)18/h3-8H,9H2,1-2H3
InChIKeyYDAXOSAZLRIXBC-UHFFFAOYSA-N
MW303.81 g/mol
LogP4.86
Rot. Bonds3

About 2-(5-chloroindol-1-yl)-1-(2,5-dimethylthiophen-3-yl)ethanone

2-(5-chloroindol-1-yl)-1-(2,5-dimethylthiophen-3-yl)ethanone (PubChem CID 63878175) has the molecular formula C16H14ClNOS and a molecular weight of 303.81 g/mol. Its IUPAC name is 2-(5-chloroindol-1-yl)-1-(2,5-dimethylthiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-(5-chloroindol-1-yl)-1-(2,5-dimethylthiophen-3-yl)ethanone
PubChem CID63878175
Molecular FormulaC16H14ClNOS
Molecular Weight303.81 g/mol
Exact Mass303.05
IUPAC Name2-(5-chloroindol-1-yl)-1-(2,5-dimethylthiophen-3-yl)ethanone
SMILESCc1cc(C(=O)Cn2ccc3cc(Cl)ccc32)c(C)s1
InChIInChI=1S/C16H14ClNOS/c1-10-7-14(11(2)20-10)16(19)9-18-6-5-12-8-13(17)3-4-15(12)18/h3-8H,9H2,1-2H3
InChIKeyYDAXOSAZLRIXBC-UHFFFAOYSA-N
XLogP4.86
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloroindol-1-yl)-1-(2,5-dibromothiophen-3-yl)ethanone
CID 63879206
2-(5-chloroindol-1-yl)-1-(4-methoxyphenyl)ethanone
CID 63878855
2-(6-chloroindol-1-yl)-1-(2-methylphenyl)ethanone
CID 62024325
2-(5-chloroindol-1-yl)-N,N-dimethylacetamide
CID 116623166
2-(5-chloroindol-1-yl)-1-(furan-2-yl)ethanone
CID 63877831
1-(5-chlorothiophen-2-yl)-2-(5-methylindol-1-yl)ethanone
CID 63554614
2-(6-chloroindol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 62025600
1-(3-chlorophenyl)-2-(5-methylindol-1-yl)ethanone
CID 63554610
2-(5-methylindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 63554603
N-carbamoyl-2-(5-chloroindol-1-yl)acetamide
CID 116623133
2-(5-chloroindol-1-yl)-N-(2-methylpropyl)acetamide
CID 39349235
2-[[2-(5-chloroindol-1-yl)acetyl]amino]propanoic acid
CID 53368015

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroindol-1-yl)-1-(2,5-dimethylthiophen-3-yl)ethanone?
The IUPAC name of 2-(5-chloroindol-1-yl)-1-(2,5-dimethylthiophen-3-yl)ethanone (CID 63878175) is 2-(5-chloroindol-1-yl)-1-(2,5-dimethylthiophen-3-yl)ethanone.
What is the SMILES notation for 2-(5-chloroindol-1-yl)-1-(2,5-dimethylthiophen-3-yl)ethanone?
The canonical SMILES for 2-(5-chloroindol-1-yl)-1-(2,5-dimethylthiophen-3-yl)ethanone is Cc1cc(C(=O)Cn2ccc3cc(Cl)ccc32)c(C)s1.
What is the InChIKey of 2-(5-chloroindol-1-yl)-1-(2,5-dimethylthiophen-3-yl)ethanone?
The InChIKey is YDAXOSAZLRIXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNOS/c1-10-7-14(11(2)20-10)16(19)9-18-6-5-12-8-13(17)3-4-15(12)18/h3-8H,9H2,1-2H3.
What are the key properties of 2-(5-chloroindol-1-yl)-1-(2,5-dimethylthiophen-3-yl)ethanone?
2-(5-chloroindol-1-yl)-1-(2,5-dimethylthiophen-3-yl)ethanone has a molecular weight of 303.81 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroindol-1-yl)-1-(2,5-dimethylthiophen-3-yl)ethanone is sourced from PubChem (CID 63878175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).