[2-oxo-2-(1-phenylethylamino)ethyl] 4-(ethylsulfamoyl)benzoate

C19H22N2O5S — CID 18085655

IUPAC[2-oxo-2-(1-phenylethylamino)ethyl] 4-(ethylsulfamoyl)benzoate
SMILESCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-3-20-27(24,25)17-11-9-16(10-12-17)19(23)26-13-18(22)21-14(2)15-7-5-4-6-8-15/h4-12,14,20H,3,13H2,1-2H3,(H,21,22)
InChIKeyVJIVAKCBOTXIKV-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.02
Rot. Bonds8

About [2-oxo-2-(1-phenylethylamino)ethyl] 4-(ethylsulfamoyl)benzoate

[2-oxo-2-(1-phenylethylamino)ethyl] 4-(ethylsulfamoyl)benzoate (PubChem CID 18085655) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is [2-oxo-2-(1-phenylethylamino)ethyl] 4-(ethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(1-phenylethylamino)ethyl] 4-(ethylsulfamoyl)benzoate
PubChem CID18085655
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name[2-oxo-2-(1-phenylethylamino)ethyl] 4-(ethylsulfamoyl)benzoate
SMILESCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-3-20-27(24,25)17-11-9-16(10-12-17)19(23)26-13-18(22)21-14(2)15-7-5-4-6-8-15/h4-12,14,20H,3,13H2,1-2H3,(H,21,22)
InChIKeyVJIVAKCBOTXIKV-UHFFFAOYSA-N
XLogP2.02
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(1-phenylethylamino)ethyl] 4-(phenylsulfamoyl)benzoate
CID 55313712
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(2-cyanoethylsulfamoyl)benzoate
CID 8509036
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(diethylsulfamoyl)benzoate
CID 2557690
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 3-(propylsulfamoyl)benzoate
CID 7537079
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-bromobenzoate
CID 2625805
(2-amino-2-oxoethyl) 4-(ethylsulfamoyl)benzoate
CID 7828149
[2-oxo-2-(1-phenylethylamino)ethyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 4265930
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-(diethylamino)benzoate
CID 2515023
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-acetamidobenzoate
CID 7654320
[2-oxo-2-(phenylcarbamoylamino)ethyl] 4-(ethylsulfamoyl)benzoate
CID 8954643
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] benzoate
CID 7868318
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] pyridine-4-carboxylate
CID 7783953

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 4-(ethylsulfamoyl)benzoate?
The IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 4-(ethylsulfamoyl)benzoate (CID 18085655) is [2-oxo-2-(1-phenylethylamino)ethyl] 4-(ethylsulfamoyl)benzoate.
What is the SMILES notation for [2-oxo-2-(1-phenylethylamino)ethyl] 4-(ethylsulfamoyl)benzoate?
The canonical SMILES for [2-oxo-2-(1-phenylethylamino)ethyl] 4-(ethylsulfamoyl)benzoate is CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(1-phenylethylamino)ethyl] 4-(ethylsulfamoyl)benzoate?
The InChIKey is VJIVAKCBOTXIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-3-20-27(24,25)17-11-9-16(10-12-17)19(23)26-13-18(22)21-14(2)15-7-5-4-6-8-15/h4-12,14,20H,3,13H2,1-2H3,(H,21,22).
What are the key properties of [2-oxo-2-(1-phenylethylamino)ethyl] 4-(ethylsulfamoyl)benzoate?
[2-oxo-2-(1-phenylethylamino)ethyl] 4-(ethylsulfamoyl)benzoate has a molecular weight of 390.46 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1-phenylethylamino)ethyl] 4-(ethylsulfamoyl)benzoate is sourced from PubChem (CID 18085655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).