2-(4-propoxyindol-1-yl)-1-thiophen-2-ylethanone

C17H17NO2S — CID 83164606

IUPAC2-(4-propoxyindol-1-yl)-1-thiophen-2-ylethanone
SMILESCCCOc1cccc2c1ccn2CC(=O)c1cccs1
InChIInChI=1S/C17H17NO2S/c1-2-10-20-16-6-3-5-14-13(16)8-9-18(14)12-15(19)17-7-4-11-21-17/h3-9,11H,2,10,12H2,1H3
InChIKeyHTAUHVAUAPODQS-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.37
Rot. Bonds6

About 2-(4-propoxyindol-1-yl)-1-thiophen-2-ylethanone

2-(4-propoxyindol-1-yl)-1-thiophen-2-ylethanone (PubChem CID 83164606) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-(4-propoxyindol-1-yl)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(4-propoxyindol-1-yl)-1-thiophen-2-ylethanone
PubChem CID83164606
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name2-(4-propoxyindol-1-yl)-1-thiophen-2-ylethanone
SMILESCCCOc1cccc2c1ccn2CC(=O)c1cccs1
InChIInChI=1S/C17H17NO2S/c1-2-10-20-16-6-3-5-14-13(16)8-9-18(14)12-15(19)17-7-4-11-21-17/h3-9,11H,2,10,12H2,1H3
InChIKeyHTAUHVAUAPODQS-UHFFFAOYSA-N
XLogP4.37
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyindol-1-yl)-1-thiophen-2-ylethanone
CID 83162814
2-(4-propoxyindol-1-yl)acetohydrazide
CID 83163365
3-(4-propoxyindol-1-yl)propanoic acid
CID 83163575
3-(4-propoxyindol-1-yl)propanamide
CID 83173818
N-methyl-3-(4-propoxyindol-1-yl)propanamide
CID 83174183
4-propoxy-1-(2-propoxyethyl)indole
CID 106458022
2-(4-ethoxyindol-1-yl)acetic acid
CID 83162473
3-(4-propoxyindol-1-yl)propanehydrazide
CID 83162357
1-(2-ethylsulfonylethyl)-4-propoxyindole
CID 83174266
1-(3-methylsulfonylpropyl)-4-propoxyindole
CID 83173638
4-[(4-propoxyindol-1-yl)methyl]phenol
CID 83166122
3-(4-propoxyindol-1-yl)propan-1-amine
CID 83163339

Frequently Asked Questions

What is the IUPAC name of 2-(4-propoxyindol-1-yl)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(4-propoxyindol-1-yl)-1-thiophen-2-ylethanone (CID 83164606) is 2-(4-propoxyindol-1-yl)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(4-propoxyindol-1-yl)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(4-propoxyindol-1-yl)-1-thiophen-2-ylethanone is CCCOc1cccc2c1ccn2CC(=O)c1cccs1.
What is the InChIKey of 2-(4-propoxyindol-1-yl)-1-thiophen-2-ylethanone?
The InChIKey is HTAUHVAUAPODQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-2-10-20-16-6-3-5-14-13(16)8-9-18(14)12-15(19)17-7-4-11-21-17/h3-9,11H,2,10,12H2,1H3.
What are the key properties of 2-(4-propoxyindol-1-yl)-1-thiophen-2-ylethanone?
2-(4-propoxyindol-1-yl)-1-thiophen-2-ylethanone has a molecular weight of 299.40 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propoxyindol-1-yl)-1-thiophen-2-ylethanone is sourced from PubChem (CID 83164606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).