[2-(4-methoxyphenyl)-2-oxoethyl] 4-[(4-fluorophenyl)sulfonylamino]butanoate

C19H20FNO6S — CID 7993662

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] 4-[(4-fluorophenyl)sulfonylamino]butanoate
SMILESCOc1ccc(C(=O)COC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H20FNO6S/c1-26-16-8-4-14(5-9-16)18(22)13-27-19(23)3-2-12-21-28(24,25)17-10-6-15(20)7-11-17/h4-11,21H,2-3,12-13H2,1H3
InChIKeyFERHTXZTKCVTBE-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.32
Rot. Bonds10

About [2-(4-methoxyphenyl)-2-oxoethyl] 4-[(4-fluorophenyl)sulfonylamino]butanoate

[2-(4-methoxyphenyl)-2-oxoethyl] 4-[(4-fluorophenyl)sulfonylamino]butanoate (PubChem CID 7993662) has the molecular formula C19H20FNO6S and a molecular weight of 409.44 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] 4-[(4-fluorophenyl)sulfonylamino]butanoate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] 4-[(4-fluorophenyl)sulfonylamino]butanoate
PubChem CID7993662
Molecular FormulaC19H20FNO6S
Molecular Weight409.44 g/mol
Exact Mass409.10
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] 4-[(4-fluorophenyl)sulfonylamino]butanoate
SMILESCOc1ccc(C(=O)COC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H20FNO6S/c1-26-16-8-4-14(5-9-16)18(22)13-27-19(23)3-2-12-21-28(24,25)17-10-6-15(20)7-11-17/h4-11,21H,2-3,12-13H2,1H3
InChIKeyFERHTXZTKCVTBE-UHFFFAOYSA-N
XLogP2.32
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(4-methoxyphenyl)-2-oxoethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate
CID 42988319
4-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)butanamide
CID 9411896
4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718070
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)sulfonylpropanoate
CID 19646576
[2-(3-fluorophenyl)-2-oxoethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]butanoate
CID 8676797
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 17192102
4-fluoro-N-(4-hydrazinyl-4-oxobutyl)benzenesulfonamide
CID 135347429
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate
CID 7981526
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[(2-chlorophenyl)sulfonylamino]propanoate
CID 7978211
4-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]benzenesulfonamide
CID 54774411
ethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate
CID 3823010

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 4-[(4-fluorophenyl)sulfonylamino]butanoate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 4-[(4-fluorophenyl)sulfonylamino]butanoate (CID 7993662) is [2-(4-methoxyphenyl)-2-oxoethyl] 4-[(4-fluorophenyl)sulfonylamino]butanoate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] 4-[(4-fluorophenyl)sulfonylamino]butanoate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] 4-[(4-fluorophenyl)sulfonylamino]butanoate is COc1ccc(C(=O)COC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] 4-[(4-fluorophenyl)sulfonylamino]butanoate?
The InChIKey is FERHTXZTKCVTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO6S/c1-26-16-8-4-14(5-9-16)18(22)13-27-19(23)3-2-12-21-28(24,25)17-10-6-15(20)7-11-17/h4-11,21H,2-3,12-13H2,1H3.
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] 4-[(4-fluorophenyl)sulfonylamino]butanoate?
[2-(4-methoxyphenyl)-2-oxoethyl] 4-[(4-fluorophenyl)sulfonylamino]butanoate has a molecular weight of 409.44 g/mol, XLogP of 2.32, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] 4-[(4-fluorophenyl)sulfonylamino]butanoate is sourced from PubChem (CID 7993662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).