[2-(2-ethoxyanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate

C19H21NO6S — CID 8855243

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
SMILESCCOc1ccccc1NC(=O)COC(=O)c1ccccc1S(=O)(=O)CC
InChIInChI=1S/C19H21NO6S/c1-3-25-16-11-7-6-10-15(16)20-18(21)13-26-19(22)14-9-5-8-12-17(14)27(23,24)4-2/h5-12H,3-4,13H2,1-2H3,(H,20,21)
InChIKeyJGGAGFUINYFHRS-UHFFFAOYSA-N
MW391.45 g/mol
LogP2.67
Rot. Bonds8

About [2-(2-ethoxyanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate

[2-(2-ethoxyanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate (PubChem CID 8855243) has the molecular formula C19H21NO6S and a molecular weight of 391.45 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
PubChem CID8855243
Molecular FormulaC19H21NO6S
Molecular Weight391.45 g/mol
Exact Mass391.11
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
SMILESCCOc1ccccc1NC(=O)COC(=O)c1ccccc1S(=O)(=O)CC
InChIInChI=1S/C19H21NO6S/c1-3-25-16-11-7-6-10-15(16)20-18(21)13-26-19(22)14-9-5-8-12-17(14)27(23,24)4-2/h5-12H,3-4,13H2,1-2H3,(H,20,21)
InChIKeyJGGAGFUINYFHRS-UHFFFAOYSA-N
XLogP2.67
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8856113
[2-(2-cyanoanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855154
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855189
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855049
[2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2605845
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylbenzoate
CID 3503829
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate
CID 11908108
ethyl 2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009177
[2-(2-ethoxyanilino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149321
[2-(2-ethoxyanilino)-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate
CID 31866861
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855380
[2-(2-ethoxyanilino)-2-oxoethyl] 2-amino-5-chlorobenzoate
CID 7472435

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate (CID 8855243) is [2-(2-ethoxyanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate is CCOc1ccccc1NC(=O)COC(=O)c1ccccc1S(=O)(=O)CC.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate?
The InChIKey is JGGAGFUINYFHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6S/c1-3-25-16-11-7-6-10-15(16)20-18(21)13-26-19(22)14-9-5-8-12-17(14)27(23,24)4-2/h5-12H,3-4,13H2,1-2H3,(H,20,21).
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate?
[2-(2-ethoxyanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate has a molecular weight of 391.45 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate is sourced from PubChem (CID 8855243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).