2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanone

C15H16O3S2 — CID 114967807

IUPAC2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanone
SMILESCCc1ccc(CC(=O)c2ccc(S(C)(=O)=O)cc2)s1
InChIInChI=1S/C15H16O3S2/c1-3-12-6-7-13(19-12)10-15(16)11-4-8-14(9-5-11)20(2,17)18/h4-9H,3,10H2,1-2H3
InChIKeySWAKNASMVDWGSK-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.14
Rot. Bonds5

About 2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanone

2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanone (PubChem CID 114967807) has the molecular formula C15H16O3S2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanone
PubChem CID114967807
Molecular FormulaC15H16O3S2
Molecular Weight308.42 g/mol
Exact Mass308.05
IUPAC Name2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanone
SMILESCCc1ccc(CC(=O)c2ccc(S(C)(=O)=O)cc2)s1
InChIInChI=1S/C15H16O3S2/c1-3-12-6-7-13(19-12)10-15(16)11-4-8-14(9-5-11)20(2,17)18/h4-9H,3,10H2,1-2H3
InChIKeySWAKNASMVDWGSK-UHFFFAOYSA-N
XLogP3.14
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanone?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanone (CID 114967807) is 2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanone?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanone is CCc1ccc(CC(=O)c2ccc(S(C)(=O)=O)cc2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanone?
The InChIKey is SWAKNASMVDWGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S2/c1-3-12-6-7-13(19-12)10-15(16)11-4-8-14(9-5-11)20(2,17)18/h4-9H,3,10H2,1-2H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanone?
2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanone has a molecular weight of 308.42 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanone is sourced from PubChem (CID 114967807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).