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

C18H19NO5S — CID 8854954

IUPAC[2-(benzylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate
SMILESCCS(=O)(=O)c1ccccc1C(=O)OCC(=O)NCc1ccccc1
InChIInChI=1S/C18H19NO5S/c1-2-25(22,23)16-11-7-6-10-15(16)18(21)24-13-17(20)19-12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,19,20)
InChIKeyHAONZSBWWAOSBL-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.95
Rot. Bonds7

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

[2-(benzylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate (PubChem CID 8854954) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate
PubChem CID8854954
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC Name[2-(benzylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate
SMILESCCS(=O)(=O)c1ccccc1C(=O)OCC(=O)NCc1ccccc1
InChIInChI=1S/C18H19NO5S/c1-2-25(22,23)16-11-7-6-10-15(16)18(21)24-13-17(20)19-12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,19,20)
InChIKeyHAONZSBWWAOSBL-UHFFFAOYSA-N
XLogP1.95
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855028
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-ethylsulfonylbenzoate
CID 8857117
[2-oxo-2-(2-phenylethylamino)ethyl] 2-methylsulfonylbenzoate
CID 18080788
[2-(benzylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 4622092
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855380
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855185
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8854981
[2-(2-ethoxyanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855243
[2-(benzylamino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519930
[2-(benzylamino)-2-oxoethyl] 2,4-dimethylbenzoate
CID 2544191
[2-(benzylamino)-2-oxoethyl] 2-nitrobenzoate
CID 2619575
[2-(2-cyanoanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855154

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate (CID 8854954) is [2-(benzylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate is CCS(=O)(=O)c1ccccc1C(=O)OCC(=O)NCc1ccccc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate?
The InChIKey is HAONZSBWWAOSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-2-25(22,23)16-11-7-6-10-15(16)18(21)24-13-17(20)19-12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,19,20).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate?
[2-(benzylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate has a molecular weight of 361.42 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate is sourced from PubChem (CID 8854954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).