(2,5-dichloro-4-ethylthiophen-3-yl)-thiophen-2-ylmethanone

C11H8Cl2OS2 — CID 71444247

IUPAC(2,5-dichloro-4-ethylthiophen-3-yl)-thiophen-2-ylmethanone
SMILESCCc1c(Cl)sc(Cl)c1C(=O)c1cccs1
InChIInChI=1S/C11H8Cl2OS2/c1-2-6-8(11(13)16-10(6)12)9(14)7-4-3-5-15-7/h3-5H,2H2,1H3
InChIKeyOEWPGAMYFIHTFG-UHFFFAOYSA-N
MW291.22 g/mol
LogP4.91
Rot. Bonds3

About (2,5-dichloro-4-ethylthiophen-3-yl)-thiophen-2-ylmethanone

(2,5-dichloro-4-ethylthiophen-3-yl)-thiophen-2-ylmethanone (PubChem CID 71444247) has the molecular formula C11H8Cl2OS2 and a molecular weight of 291.22 g/mol. Its IUPAC name is (2,5-dichloro-4-ethylthiophen-3-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(2,5-dichloro-4-ethylthiophen-3-yl)-thiophen-2-ylmethanone
PubChem CID71444247
Molecular FormulaC11H8Cl2OS2
Molecular Weight291.22 g/mol
Exact Mass289.94
IUPAC Name(2,5-dichloro-4-ethylthiophen-3-yl)-thiophen-2-ylmethanone
SMILESCCc1c(Cl)sc(Cl)c1C(=O)c1cccs1
InChIInChI=1S/C11H8Cl2OS2/c1-2-6-8(11(13)16-10(6)12)9(14)7-4-3-5-15-7/h3-5H,2H2,1H3
InChIKeyOEWPGAMYFIHTFG-UHFFFAOYSA-N
XLogP4.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-thiophen-2-ylpropan-1-one
CID 26179
(3-chloro-6-ethoxy-2,4-dimethylphenyl)-thiophen-2-ylmethanone
CID 82053341
(3-chlorothiophen-2-yl)-thiophen-2-ylmethanone
CID 80529755
(3-ethyl-2-pyridinyl)-thiophen-2-ylmethanone
CID 82730250
dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene
CID 161486915
[5-(thiophene-2-carbonyl)thieno[3,2-b]thiophen-2-yl]-thiophen-2-ylmethanone
CID 102424317
4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
CID 725819
2-ethylsulfinyl-1-thiophen-2-ylethanone
CID 64639868
2-chloro-2-ethyl-1-thiophen-2-ylbutan-1-one
CID 45081139
ethyl 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxylate
CID 136880134
oxido(thiophene-2-carbonyl)azanium
CID 141173864
thiophen-2-yl-(2,4,6-trimethoxyphenyl)methanone
CID 93191545

Frequently Asked Questions

What is the IUPAC name of (2,5-dichloro-4-ethylthiophen-3-yl)-thiophen-2-ylmethanone?
The IUPAC name of (2,5-dichloro-4-ethylthiophen-3-yl)-thiophen-2-ylmethanone (CID 71444247) is (2,5-dichloro-4-ethylthiophen-3-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (2,5-dichloro-4-ethylthiophen-3-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (2,5-dichloro-4-ethylthiophen-3-yl)-thiophen-2-ylmethanone is CCc1c(Cl)sc(Cl)c1C(=O)c1cccs1.
What is the InChIKey of (2,5-dichloro-4-ethylthiophen-3-yl)-thiophen-2-ylmethanone?
The InChIKey is OEWPGAMYFIHTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2OS2/c1-2-6-8(11(13)16-10(6)12)9(14)7-4-3-5-15-7/h3-5H,2H2,1H3.
What are the key properties of (2,5-dichloro-4-ethylthiophen-3-yl)-thiophen-2-ylmethanone?
(2,5-dichloro-4-ethylthiophen-3-yl)-thiophen-2-ylmethanone has a molecular weight of 291.22 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichloro-4-ethylthiophen-3-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 71444247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).