1-(5-ethylthiophen-2-yl)-2-(2-methoxyphenyl)sulfinylethanone

C15H16O3S2 — CID 64636460

IUPAC1-(5-ethylthiophen-2-yl)-2-(2-methoxyphenyl)sulfinylethanone
SMILESCCc1ccc(C(=O)CS(=O)c2ccccc2OC)s1
InChIInChI=1S/C15H16O3S2/c1-3-11-8-9-14(19-11)12(16)10-20(17)15-7-5-4-6-13(15)18-2/h4-9H,3,10H2,1-2H3
InChIKeyKLHYVWOBTQNUKV-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.31
Rot. Bonds6

About 1-(5-ethylthiophen-2-yl)-2-(2-methoxyphenyl)sulfinylethanone

1-(5-ethylthiophen-2-yl)-2-(2-methoxyphenyl)sulfinylethanone (PubChem CID 64636460) has the molecular formula C15H16O3S2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2-(2-methoxyphenyl)sulfinylethanone.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2-(2-methoxyphenyl)sulfinylethanone
PubChem CID64636460
Molecular FormulaC15H16O3S2
Molecular Weight308.42 g/mol
Exact Mass308.05
IUPAC Name1-(5-ethylthiophen-2-yl)-2-(2-methoxyphenyl)sulfinylethanone
SMILESCCc1ccc(C(=O)CS(=O)c2ccccc2OC)s1
InChIInChI=1S/C15H16O3S2/c1-3-11-8-9-14(19-11)12(16)10-20(17)15-7-5-4-6-13(15)18-2/h4-9H,3,10H2,1-2H3
InChIKeyKLHYVWOBTQNUKV-UHFFFAOYSA-N
XLogP3.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)sulfinyl-1-thiophen-2-ylethanone
CID 64635705
2-(2,6-dimethoxyphenoxy)-1-(5-ethylthiophen-2-yl)ethanone
CID 43799632
1-(2-methoxyphenyl)sulfinyl-3-phenylpropan-2-one
CID 64635704
2-(3-chlorophenyl)sulfinyl-1-(5-ethylthiophen-2-yl)ethanone
CID 64636056
tert-butyl 2-[(S)-(2-methoxyphenyl)sulfinyl]acetate
CID 138538379
1-(5-ethylthiophen-2-yl)-2-(4-methoxyphenoxy)ethanone
CID 43612279
1-(5-ethylthiophen-2-yl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 17457666
2-(2,5-difluorophenyl)sulfinyl-1-(2-methoxyphenyl)ethanone
CID 64638325
N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfinylacetamide
CID 61289994
methyl 3-(2-methoxyphenyl)sulfinyl-2,2-dimethylpropanoate
CID 79620325
1-(2,3-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanone
CID 105089222
1-(5-ethylthiophen-2-yl)pentan-1-one
CID 43160903

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(2-methoxyphenyl)sulfinylethanone?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(2-methoxyphenyl)sulfinylethanone (CID 64636460) is 1-(5-ethylthiophen-2-yl)-2-(2-methoxyphenyl)sulfinylethanone.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2-(2-methoxyphenyl)sulfinylethanone?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2-(2-methoxyphenyl)sulfinylethanone is CCc1ccc(C(=O)CS(=O)c2ccccc2OC)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2-(2-methoxyphenyl)sulfinylethanone?
The InChIKey is KLHYVWOBTQNUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S2/c1-3-11-8-9-14(19-11)12(16)10-20(17)15-7-5-4-6-13(15)18-2/h4-9H,3,10H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2-(2-methoxyphenyl)sulfinylethanone?
1-(5-ethylthiophen-2-yl)-2-(2-methoxyphenyl)sulfinylethanone has a molecular weight of 308.42 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-2-(2-methoxyphenyl)sulfinylethanone is sourced from PubChem (CID 64636460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).