1-(2,5-dimethylthiophen-3-yl)-2-(3-methoxyphenyl)sulfonylethanone

C15H16O4S2 — CID 64641956

IUPAC1-(2,5-dimethylthiophen-3-yl)-2-(3-methoxyphenyl)sulfonylethanone
SMILESCOc1cccc(S(=O)(=O)CC(=O)c2cc(C)sc2C)c1
InChIInChI=1S/C15H16O4S2/c1-10-7-14(11(2)20-10)15(16)9-21(17,18)13-6-4-5-12(8-13)19-3/h4-8H,9H2,1-3H3
InChIKeyQIKMEVMXUDTCAB-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.03
Rot. Bonds5

About 1-(2,5-dimethylthiophen-3-yl)-2-(3-methoxyphenyl)sulfonylethanone

1-(2,5-dimethylthiophen-3-yl)-2-(3-methoxyphenyl)sulfonylethanone (PubChem CID 64641956) has the molecular formula C15H16O4S2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-2-(3-methoxyphenyl)sulfonylethanone.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-2-(3-methoxyphenyl)sulfonylethanone
PubChem CID64641956
Molecular FormulaC15H16O4S2
Molecular Weight324.42 g/mol
Exact Mass324.05
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-2-(3-methoxyphenyl)sulfonylethanone
SMILESCOc1cccc(S(=O)(=O)CC(=O)c2cc(C)sc2C)c1
InChIInChI=1S/C15H16O4S2/c1-10-7-14(11(2)20-10)15(16)9-21(17,18)13-6-4-5-12(8-13)19-3/h4-8H,9H2,1-3H3
InChIKeyQIKMEVMXUDTCAB-UHFFFAOYSA-N
XLogP3.03
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)-2-(3-methoxyphenyl)sulfonylethanone
CID 64641583
ethyl 5-(3-methoxyphenyl)sulfonyl-4-oxopentanoate
CID 103485778
4-(2,5-dimethylthiophen-3-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide
CID 24639800
N-(2-aminoethyl)-2-(3-methoxyphenyl)sulfonylacetamide
CID 64696966
3-(3-methoxyphenyl)sulfonylpropanoic acid
CID 16786519
1-(fluoromethylsulfonyl)-3-methoxybenzene
CID 84721809
2-(3-methoxyphenyl)sulfonyl-1-[1-[(2,4,6-trimethylphenyl)methyl]indol-2-yl]ethanone
CID 158019812
1-(2,5-dimethylthiophen-3-yl)-2-[3-(methoxymethyl)phenoxy]ethanone
CID 63986786
2-(2,5-difluorophenyl)sulfonyl-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 64636515
methyl 3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfonylpropanoate
CID 64637102
2-(2-bromo-4-methoxyphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 104708049
1-(2,5-dimethylthiophen-3-yl)-2-propylsulfonylethanone
CID 64642589

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-(3-methoxyphenyl)sulfonylethanone?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-(3-methoxyphenyl)sulfonylethanone (CID 64641956) is 1-(2,5-dimethylthiophen-3-yl)-2-(3-methoxyphenyl)sulfonylethanone.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-2-(3-methoxyphenyl)sulfonylethanone?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-2-(3-methoxyphenyl)sulfonylethanone is COc1cccc(S(=O)(=O)CC(=O)c2cc(C)sc2C)c1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-2-(3-methoxyphenyl)sulfonylethanone?
The InChIKey is QIKMEVMXUDTCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4S2/c1-10-7-14(11(2)20-10)15(16)9-21(17,18)13-6-4-5-12(8-13)19-3/h4-8H,9H2,1-3H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-2-(3-methoxyphenyl)sulfonylethanone?
1-(2,5-dimethylthiophen-3-yl)-2-(3-methoxyphenyl)sulfonylethanone has a molecular weight of 324.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-2-(3-methoxyphenyl)sulfonylethanone is sourced from PubChem (CID 64641956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).