1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile

C16H14N2OS — CID 58694271

IUPAC1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile
SMILESCCn1c(-c2ccsc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C16H14N2OS/c1-3-18-15-8-12(19-2)4-5-13(15)14(9-17)16(18)11-6-7-20-10-11/h4-8,10H,3H2,1-2H3
InChIKeyXFFJGEJZDCSBRC-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.27
Rot. Bonds3

About 1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile

1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile (PubChem CID 58694271) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile
PubChem CID58694271
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile
SMILESCCn1c(-c2ccsc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C16H14N2OS/c1-3-18-15-8-12(19-2)4-5-13(15)14(9-17)16(18)11-6-7-20-10-11/h4-8,10H,3H2,1-2H3
InChIKeyXFFJGEJZDCSBRC-UHFFFAOYSA-N
XLogP4.27
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile?
The IUPAC name of 1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile (CID 58694271) is 1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile.
What is the SMILES notation for 1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile?
The canonical SMILES for 1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile is CCn1c(-c2ccsc2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile?
The InChIKey is XFFJGEJZDCSBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-3-18-15-8-12(19-2)4-5-13(15)14(9-17)16(18)11-6-7-20-10-11/h4-8,10H,3H2,1-2H3.
What are the key properties of 1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile?
1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile has a molecular weight of 282.37 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile is sourced from PubChem (CID 58694271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).