(1-ethylindol-3-yl)-thiophen-2-ylmethanone

C15H13NOS — CID 1241971

IUPAC(1-ethylindol-3-yl)-thiophen-2-ylmethanone
SMILESCCn1cc(C(=O)c2cccs2)c2ccccc21
InChIInChI=1S/C15H13NOS/c1-2-16-10-12(11-6-3-4-7-13(11)16)15(17)14-8-5-9-18-14/h3-10H,2H2,1H3
InChIKeyCOFVRVDZUOIADU-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.95
Rot. Bonds3

About (1-ethylindol-3-yl)-thiophen-2-ylmethanone

(1-ethylindol-3-yl)-thiophen-2-ylmethanone (PubChem CID 1241971) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is (1-ethylindol-3-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(1-ethylindol-3-yl)-thiophen-2-ylmethanone
PubChem CID1241971
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name(1-ethylindol-3-yl)-thiophen-2-ylmethanone
SMILESCCn1cc(C(=O)c2cccs2)c2ccccc21
InChIInChI=1S/C15H13NOS/c1-2-16-10-12(11-6-3-4-7-13(11)16)15(17)14-8-5-9-18-14/h3-10H,2H2,1H3
InChIKeyCOFVRVDZUOIADU-UHFFFAOYSA-N
XLogP3.95
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Methylphenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 11616723
Jwh-167
CID 44397502
2-(4-Methylphenyl)-1-(1-pentylindol-3-YL)ethanone
CID 44397464
1-(1-Methyl-1H-indol-3-yl)ethanone
CID 594156
1-Methyl-3-(trifluoroacetyl)-1H-indole
CID 3524388
3-(1-benzothiophen-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327663
3-(1-methyl-1H-indol-3-yl)-4-(thiophen-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327668
Maleimide derivative, 5
CID 10477747
(1-(4-(Methylthio)butyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11501072
1-(2-methyl-1H-indol-3-yl)-2-(pyridin-2-ylsulfanyl)ethanone
CID 753522
(1-Methylindol-3-yl)-phenylmethanone
CID 899817
Indothiazinone
CID 69252541

Frequently Asked Questions

What is the IUPAC name of (1-ethylindol-3-yl)-thiophen-2-ylmethanone?
The IUPAC name of (1-ethylindol-3-yl)-thiophen-2-ylmethanone (CID 1241971) is (1-ethylindol-3-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (1-ethylindol-3-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (1-ethylindol-3-yl)-thiophen-2-ylmethanone is CCn1cc(C(=O)c2cccs2)c2ccccc21.
What is the InChIKey of (1-ethylindol-3-yl)-thiophen-2-ylmethanone?
The InChIKey is COFVRVDZUOIADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c1-2-16-10-12(11-6-3-4-7-13(11)16)15(17)14-8-5-9-18-14/h3-10H,2H2,1H3.
What are the key properties of (1-ethylindol-3-yl)-thiophen-2-ylmethanone?
(1-ethylindol-3-yl)-thiophen-2-ylmethanone has a molecular weight of 255.34 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylindol-3-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 1241971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).