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

C15H13NO2S — CID 83162814

IUPAC2-(4-methoxyindol-1-yl)-1-thiophen-2-ylethanone
SMILESCOc1cccc2c1ccn2CC(=O)c1cccs1
InChIInChI=1S/C15H13NO2S/c1-18-14-5-2-4-12-11(14)7-8-16(12)10-13(17)15-6-3-9-19-15/h2-9H,10H2,1H3
InChIKeyGDRAJKPMIVMNNB-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.59
Rot. Bonds4

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

2-(4-methoxyindol-1-yl)-1-thiophen-2-ylethanone (PubChem CID 83162814) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-(4-methoxyindol-1-yl)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(4-methoxyindol-1-yl)-1-thiophen-2-ylethanone
PubChem CID83162814
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name2-(4-methoxyindol-1-yl)-1-thiophen-2-ylethanone
SMILESCOc1cccc2c1ccn2CC(=O)c1cccs1
InChIInChI=1S/C15H13NO2S/c1-18-14-5-2-4-12-11(14)7-8-16(12)10-13(17)15-6-3-9-19-15/h2-9H,10H2,1H3
InChIKeyGDRAJKPMIVMNNB-UHFFFAOYSA-N
XLogP3.59
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-propoxyindol-1-yl)-1-thiophen-2-ylethanone
CID 83164606
1-(3-bromophenyl)-2-(4-methoxyindol-1-yl)ethanone
CID 83164594
ethyl 2-(4-methoxyindol-1-yl)acetate
CID 83162389
methyl 3-(4-methoxyindol-1-yl)propanoate
CID 83162468
methyl 4-(4-methoxyindol-1-yl)butanoate
CID 83163082
3-(4-methoxyindol-1-yl)-1-phenylpropan-1-one
CID 116691996
2-(4-methoxyindol-1-yl)-N-pentan-2-ylacetamide
CID 83174347
4-(4-methoxyindol-1-yl)butanoic acid
CID 83162861
2-(4-methoxyindol-1-yl)-N-(3-methoxypropyl)acetamide
CID 83173338
N-[2-(4-methoxyindol-1-yl)ethyl]-1-thiophen-2-ylethanamine
CID 83164912
1-heptyl-4-methoxyindole
CID 83174164
tert-butyl 3-(4-methoxyindol-1-yl)propanoate
CID 116662779

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyindol-1-yl)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(4-methoxyindol-1-yl)-1-thiophen-2-ylethanone (CID 83162814) is 2-(4-methoxyindol-1-yl)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(4-methoxyindol-1-yl)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(4-methoxyindol-1-yl)-1-thiophen-2-ylethanone is COc1cccc2c1ccn2CC(=O)c1cccs1.
What is the InChIKey of 2-(4-methoxyindol-1-yl)-1-thiophen-2-ylethanone?
The InChIKey is GDRAJKPMIVMNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-18-14-5-2-4-12-11(14)7-8-16(12)10-13(17)15-6-3-9-19-15/h2-9H,10H2,1H3.
What are the key properties of 2-(4-methoxyindol-1-yl)-1-thiophen-2-ylethanone?
2-(4-methoxyindol-1-yl)-1-thiophen-2-ylethanone has a molecular weight of 271.34 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyindol-1-yl)-1-thiophen-2-ylethanone is sourced from PubChem (CID 83162814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).