[2-(4-methoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)sulfonylpropanoate

C19H20O7S — CID 19646576

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)sulfonylpropanoate
SMILESCOc1ccc(C(=O)COC(=O)CCS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H20O7S/c1-24-15-5-3-14(4-6-15)18(20)13-26-19(21)11-12-27(22,23)17-9-7-16(25-2)8-10-17/h3-10H,11-13H2,1-2H3
InChIKeyLSMCEMVSUZECGZ-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.29
Rot. Bonds9

About [2-(4-methoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)sulfonylpropanoate

[2-(4-methoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)sulfonylpropanoate (PubChem CID 19646576) has the molecular formula C19H20O7S and a molecular weight of 392.43 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)sulfonylpropanoate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)sulfonylpropanoate
PubChem CID19646576
Molecular FormulaC19H20O7S
Molecular Weight392.43 g/mol
Exact Mass392.09
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)sulfonylpropanoate
SMILESCOc1ccc(C(=O)COC(=O)CCS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H20O7S/c1-24-15-5-3-14(4-6-15)18(20)13-26-19(21)11-12-27(22,23)17-9-7-16(25-2)8-10-17/h3-10H,11-13H2,1-2H3
InChIKeyLSMCEMVSUZECGZ-UHFFFAOYSA-N
XLogP2.29
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 7628991
[2-(4-fluorophenyl)-2-oxoethyl] 3-naphthalen-2-ylsulfonylpropanoate
CID 19646566
[2-(4-methoxyanilino)-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate
CID 2646201
[2-(4-chlorophenyl)-2-oxoethyl] 4-(4-methoxyphenyl)-4-oxobutanoate
CID 2287702
[2-(4-methoxyphenyl)-2-oxoethyl] 4-[(4-fluorophenyl)sulfonylamino]butanoate
CID 7993662
ethyl 3-[4-(2-chloroacetyl)phenyl]sulfonylpropanoate
CID 94780639
2-(4-methoxyphenyl)sulfonyl-1-phenylethanone
CID 10334404
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[(2-chlorophenyl)sulfonylamino]propanoate
CID 7978211
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate
CID 7981526
[2-(4-methoxyphenyl)-2-oxoethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate
CID 42988319
[2-(4-methoxyphenyl)-2-oxoethyl] 2-hydroxypropanoate
CID 70980265
ethyl 3-[4-(2-methylpropanoyl)phenyl]sulfonylpropanoate
CID 94779855

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)sulfonylpropanoate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)sulfonylpropanoate (CID 19646576) is [2-(4-methoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)sulfonylpropanoate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)sulfonylpropanoate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)sulfonylpropanoate is COc1ccc(C(=O)COC(=O)CCS(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)sulfonylpropanoate?
The InChIKey is LSMCEMVSUZECGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O7S/c1-24-15-5-3-14(4-6-15)18(20)13-26-19(21)11-12-27(22,23)17-9-7-16(25-2)8-10-17/h3-10H,11-13H2,1-2H3.
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)sulfonylpropanoate?
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)sulfonylpropanoate has a molecular weight of 392.43 g/mol, XLogP of 2.29, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)sulfonylpropanoate is sourced from PubChem (CID 19646576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).