[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 4-ethylbenzoate

C19H22N2O5S — CID 9230085

IUPAC[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-3-14-4-6-16(7-5-14)19(23)26-12-18(22)21-13(2)15-8-10-17(11-9-15)27(20,24)25/h4-11,13H,3,12H2,1-2H3,(H,21,22)(H2,20,24,25)/t13-/m0/s1
InChIKeyDBXNEGIDVAXDJN-ZDUSSCGKSA-N
MW390.46 g/mol
LogP1.93
Rot. Bonds7

About [2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 4-ethylbenzoate

[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 4-ethylbenzoate (PubChem CID 9230085) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is [2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 4-ethylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 4-ethylbenzoate
PubChem CID9230085
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-3-14-4-6-16(7-5-14)19(23)26-12-18(22)21-13(2)15-8-10-17(11-9-15)27(20,24)25/h4-11,13H,3,12H2,1-2H3,(H,21,22)(H2,20,24,25)/t13-/m0/s1
InChIKeyDBXNEGIDVAXDJN-ZDUSSCGKSA-N
XLogP1.93
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 4-ethylbenzoate with MolForge

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Related Compounds

[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 4-ethylbenzoate
CID 95181161
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] benzoate
CID 7868318
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 8580616
[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 7890501
[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 8662901
[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 3-methoxybenzoate
CID 9019237
[2-oxo-2-(1-phenylethylamino)ethyl] 4-(ethylsulfamoyl)benzoate
CID 18085655
[2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-ethoxybenzoate
CID 9197483
[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-ethoxyphenyl)acetate
CID 16564974
2-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethoxy]acetic acid
CID 60708265
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(diethylsulfamoyl)benzoate
CID 2557690
[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-methylbenzoate
CID 46630070

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 4-ethylbenzoate?
The IUPAC name of [2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 4-ethylbenzoate (CID 9230085) is [2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 4-ethylbenzoate.
What is the SMILES notation for [2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 4-ethylbenzoate?
The canonical SMILES for [2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 4-ethylbenzoate is CCc1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of [2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 4-ethylbenzoate?
The InChIKey is DBXNEGIDVAXDJN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-3-14-4-6-16(7-5-14)19(23)26-12-18(22)21-13(2)15-8-10-17(11-9-15)27(20,24)25/h4-11,13H,3,12H2,1-2H3,(H,21,22)(H2,20,24,25)/t13-/m0/s1.
What are the key properties of [2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 4-ethylbenzoate?
[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 4-ethylbenzoate has a molecular weight of 390.46 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 4-ethylbenzoate is sourced from PubChem (CID 9230085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).