[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate

C19H19NO7S — CID 8855380

IUPAC[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
SMILESCCS(=O)(=O)c1ccccc1C(=O)OCC(=O)Nc1ccc(C(=O)OC)cc1
InChIInChI=1S/C19H19NO7S/c1-3-28(24,25)16-7-5-4-6-15(16)19(23)27-12-17(21)20-14-10-8-13(9-11-14)18(22)26-2/h4-11H,3,12H2,1-2H3,(H,20,21)
InChIKeyRUQQNAYPVQZNLP-UHFFFAOYSA-N
MW405.43 g/mol
LogP2.06
Rot. Bonds7

About [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate

[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate (PubChem CID 8855380) has the molecular formula C19H19NO7S and a molecular weight of 405.43 g/mol. Its IUPAC name is [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
PubChem CID8855380
Molecular FormulaC19H19NO7S
Molecular Weight405.43 g/mol
Exact Mass405.09
IUPAC Name[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
SMILESCCS(=O)(=O)c1ccccc1C(=O)OCC(=O)Nc1ccc(C(=O)OC)cc1
InChIInChI=1S/C19H19NO7S/c1-3-28(24,25)16-7-5-4-6-15(16)19(23)27-12-17(21)20-14-10-8-13(9-11-14)18(22)26-2/h4-11H,3,12H2,1-2H3,(H,20,21)
InChIKeyRUQQNAYPVQZNLP-UHFFFAOYSA-N
XLogP2.06
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855185
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8854981
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658348
(4-methoxycarbonylphenyl) 2-ethylsulfonylbenzoate
CID 8777351
[2-(2-cyanoanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855154
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-ethylsulfonylbenzoate
CID 8854856
[2-oxo-2-(4-propoxycarbonylanilino)ethyl] 2-methoxybenzoate
CID 7811220
[2-(2-ethoxyanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855243
[2-oxo-2-(4-propylanilino)ethyl] 2-methylsulfonylbenzoate
CID 18127500
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 8765544
[2-(benzylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8854954
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8856113

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate?
The IUPAC name of [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate (CID 8855380) is [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate.
What is the SMILES notation for [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate?
The canonical SMILES for [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate is CCS(=O)(=O)c1ccccc1C(=O)OCC(=O)Nc1ccc(C(=O)OC)cc1.
What is the InChIKey of [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate?
The InChIKey is RUQQNAYPVQZNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO7S/c1-3-28(24,25)16-7-5-4-6-15(16)19(23)27-12-17(21)20-14-10-8-13(9-11-14)18(22)26-2/h4-11H,3,12H2,1-2H3,(H,20,21).
What are the key properties of [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate?
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate has a molecular weight of 405.43 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate is sourced from PubChem (CID 8855380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).