[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate

C16H16N2O6S — CID 2510265

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H16N2O6S/c1-23-13-6-2-11(3-7-13)16(20)24-10-15(19)18-12-4-8-14(9-5-12)25(17,21)22/h2-9H,10H2,1H3,(H,18,19)(H2,17,21,22)
InChIKeyIDAAOKPRSCBHTI-UHFFFAOYSA-N
MW364.38 g/mol
LogP1.14
Rot. Bonds6

About [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate

[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate (PubChem CID 2510265) has the molecular formula C16H16N2O6S and a molecular weight of 364.38 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate
PubChem CID2510265
Molecular FormulaC16H16N2O6S
Molecular Weight364.38 g/mol
Exact Mass364.07
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H16N2O6S/c1-23-13-6-2-11(3-7-13)16(20)24-10-15(19)18-12-4-8-14(9-5-12)25(17,21)22/h2-9H,10H2,1H3,(H,18,19)(H2,17,21,22)
InChIKeyIDAAOKPRSCBHTI-UHFFFAOYSA-N
XLogP1.14
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] 4-methylsulfonylbenzoate
CID 2670499
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-ethoxybenzoate
CID 2563718
ethyl 4-[2-oxo-2-(4-sulfamoylanilino)ethoxy]benzoate
CID 38924617
dimethyl 5-[[2-(4-sulfamoylbenzoyl)oxyacetyl]amino]benzene-1,3-dicarboxylate
CID 55312802
[2-(4-methoxyanilino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 7994064
[2-(4-methoxyanilino)-2-oxoethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 2369538
[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-fluoro-4-methoxybenzoate
CID 7522974
[2-(4-methoxyanilino)-2-oxoethyl] 4-formylbenzoate
CID 2417688
4-[4-[2-(4-methoxyanilino)-2-oxoethoxy]carbonylanilino]-4-oxobutanoic acid
CID 19059206
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55323630
[2-(4-methoxyanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 4854134
[2-(4-methoxyanilino)-2-oxoethyl] 3-methylsulfonylbenzoate
CID 2528834

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate (CID 2510265) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate is COc1ccc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate?
The InChIKey is IDAAOKPRSCBHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6S/c1-23-13-6-2-11(3-7-13)16(20)24-10-15(19)18-12-4-8-14(9-5-12)25(17,21)22/h2-9H,10H2,1H3,(H,18,19)(H2,17,21,22).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate has a molecular weight of 364.38 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate is sourced from PubChem (CID 2510265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).