4-benzylsulfonyl-2-ethyl-3-methoxythiophene

C14H16O3S2 — CID 67151964

IUPAC4-benzylsulfonyl-2-ethyl-3-methoxythiophene
SMILESCCc1scc(S(=O)(=O)Cc2ccccc2)c1OC
InChIInChI=1S/C14H16O3S2/c1-3-12-14(17-2)13(9-18-12)19(15,16)10-11-7-5-4-6-8-11/h4-9H,3,10H2,1-2H3
InChIKeyLLMVCUYLBVGGSE-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.29
Rot. Bonds5

About 4-benzylsulfonyl-2-ethyl-3-methoxythiophene

4-benzylsulfonyl-2-ethyl-3-methoxythiophene (PubChem CID 67151964) has the molecular formula C14H16O3S2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-benzylsulfonyl-2-ethyl-3-methoxythiophene.

Molecular Properties

Compound Name4-benzylsulfonyl-2-ethyl-3-methoxythiophene
PubChem CID67151964
Molecular FormulaC14H16O3S2
Molecular Weight296.41 g/mol
Exact Mass296.05
IUPAC Name4-benzylsulfonyl-2-ethyl-3-methoxythiophene
SMILESCCc1scc(S(=O)(=O)Cc2ccccc2)c1OC
InChIInChI=1S/C14H16O3S2/c1-3-12-14(17-2)13(9-18-12)19(15,16)10-11-7-5-4-6-8-11/h4-9H,3,10H2,1-2H3
InChIKeyLLMVCUYLBVGGSE-UHFFFAOYSA-N
XLogP3.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[Benzenesulfonyl(difluoro)methyl]-3-methoxythiophene
CID 102134990
Methoxyphenylthiophene
CID 19905010
3-Benzylthio-4-methoxy-2-trifluoromethylthiophene
CID 12090422
2-(2-Methoxyphenyl)-3-methylsulfinylthiophene
CID 138980199
2-[(Z)-5-(4-methoxyphenyl)-2-methylpent-2-en-4-ynyl]sulfonylthiophene
CID 176431439
2-[(E)-1-(4-methoxyphenyl)-2-methylsulfonylethenyl]thiophene
CID 12781260
2-[(3-Methoxy-4-methylsulfonylphenyl)methylsulfanyl]thiophene
CID 56791855
4-Benzyloxy-2-(methylsulfonyl)thiophene
CID 15477101
2-Benzyl-3-methoxythiophene
CID 15717784
3-(1-Benzylsulfonylethoxy)thiophene
CID 20070870
2-[(2-Ethylphenyl)methylsulfonyl]-3-methoxythiophene
CID 21899742
2-Methylsulfonyl-3-phenylmethoxythiophene
CID 23295706

Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfonyl-2-ethyl-3-methoxythiophene?
The IUPAC name of 4-benzylsulfonyl-2-ethyl-3-methoxythiophene (CID 67151964) is 4-benzylsulfonyl-2-ethyl-3-methoxythiophene.
What is the SMILES notation for 4-benzylsulfonyl-2-ethyl-3-methoxythiophene?
The canonical SMILES for 4-benzylsulfonyl-2-ethyl-3-methoxythiophene is CCc1scc(S(=O)(=O)Cc2ccccc2)c1OC.
What is the InChIKey of 4-benzylsulfonyl-2-ethyl-3-methoxythiophene?
The InChIKey is LLMVCUYLBVGGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3S2/c1-3-12-14(17-2)13(9-18-12)19(15,16)10-11-7-5-4-6-8-11/h4-9H,3,10H2,1-2H3.
What are the key properties of 4-benzylsulfonyl-2-ethyl-3-methoxythiophene?
4-benzylsulfonyl-2-ethyl-3-methoxythiophene has a molecular weight of 296.41 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfonyl-2-ethyl-3-methoxythiophene is sourced from PubChem (CID 67151964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).