2-[(E)-1-(4-methoxyphenyl)-2-methylsulfonylethenyl]thiophene

C14H14O3S2 — CID 12781260

IUPAC2-[(E)-1-(4-methoxyphenyl)-2-methylsulfonylethenyl]thiophene
SMILESCOc1ccc(/C(=C\S(C)(=O)=O)c2cccs2)cc1
InChIInChI=1S/C14H14O3S2/c1-17-12-7-5-11(6-8-12)13(10-19(2,15)16)14-4-3-9-18-14/h3-10H,1-2H3/b13-10+
InChIKeyZTYYJAZUGBXPCC-JLHYYAGUSA-N
MW294.40 g/mol
LogP3.19
Rot. Bonds4

About 2-[(E)-1-(4-methoxyphenyl)-2-methylsulfonylethenyl]thiophene

2-[(E)-1-(4-methoxyphenyl)-2-methylsulfonylethenyl]thiophene (PubChem CID 12781260) has the molecular formula C14H14O3S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[(E)-1-(4-methoxyphenyl)-2-methylsulfonylethenyl]thiophene.

Molecular Properties

Compound Name2-[(E)-1-(4-methoxyphenyl)-2-methylsulfonylethenyl]thiophene
PubChem CID12781260
Molecular FormulaC14H14O3S2
Molecular Weight294.40 g/mol
Exact Mass294.04
IUPAC Name2-[(E)-1-(4-methoxyphenyl)-2-methylsulfonylethenyl]thiophene
SMILESCOc1ccc(/C(=C\S(C)(=O)=O)c2cccs2)cc1
InChIInChI=1S/C14H14O3S2/c1-17-12-7-5-11(6-8-12)13(10-19(2,15)16)14-4-3-9-18-14/h3-10H,1-2H3/b13-10+
InChIKeyZTYYJAZUGBXPCC-JLHYYAGUSA-N
XLogP3.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-(4-methoxyphenyl)-2-methylsulfonylethenyl]thiophene?
The IUPAC name of 2-[(E)-1-(4-methoxyphenyl)-2-methylsulfonylethenyl]thiophene (CID 12781260) is 2-[(E)-1-(4-methoxyphenyl)-2-methylsulfonylethenyl]thiophene.
What is the SMILES notation for 2-[(E)-1-(4-methoxyphenyl)-2-methylsulfonylethenyl]thiophene?
The canonical SMILES for 2-[(E)-1-(4-methoxyphenyl)-2-methylsulfonylethenyl]thiophene is COc1ccc(/C(=C\S(C)(=O)=O)c2cccs2)cc1.
What is the InChIKey of 2-[(E)-1-(4-methoxyphenyl)-2-methylsulfonylethenyl]thiophene?
The InChIKey is ZTYYJAZUGBXPCC-JLHYYAGUSA-N. The full InChI is InChI=1S/C14H14O3S2/c1-17-12-7-5-11(6-8-12)13(10-19(2,15)16)14-4-3-9-18-14/h3-10H,1-2H3/b13-10+.
What are the key properties of 2-[(E)-1-(4-methoxyphenyl)-2-methylsulfonylethenyl]thiophene?
2-[(E)-1-(4-methoxyphenyl)-2-methylsulfonylethenyl]thiophene has a molecular weight of 294.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-(4-methoxyphenyl)-2-methylsulfonylethenyl]thiophene is sourced from PubChem (CID 12781260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).