ethyl 4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperazine-1-carboxylate

C17H26N4O5S — CID 27154557

IUPACethyl 4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C17H26N4O5S/c1-2-26-17(23)21-11-9-20(10-12-21)13-16(22)19-8-7-14-3-5-15(6-4-14)27(18,24)25/h3-6H,2,7-13H2,1H3,(H,19,22)(H2,18,24,25)
InChIKeyGEFMSABOUAESKF-UHFFFAOYSA-N
MW398.49 g/mol
LogP-0.23
Rot. Bonds7

About ethyl 4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperazine-1-carboxylate

ethyl 4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperazine-1-carboxylate (PubChem CID 27154557) has the molecular formula C17H26N4O5S and a molecular weight of 398.49 g/mol. Its IUPAC name is ethyl 4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperazine-1-carboxylate
PubChem CID27154557
Molecular FormulaC17H26N4O5S
Molecular Weight398.49 g/mol
Exact Mass398.16
IUPAC Nameethyl 4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C17H26N4O5S/c1-2-26-17(23)21-11-9-20(10-12-21)13-16(22)19-8-7-14-3-5-15(6-4-14)27(18,24)25/h3-6H,2,7-13H2,1H3,(H,19,22)(H2,18,24,25)
InChIKeyGEFMSABOUAESKF-UHFFFAOYSA-N
XLogP-0.23
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 108989656
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2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2109300
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
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2-[(3S)-3-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2099648
2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 55565672
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide;hydrochloride
CID 120776717
2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 110688566
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108945727
2-[(2R)-2-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2698032
(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 30721204

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperazine-1-carboxylate (CID 27154557) is ethyl 4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of ethyl 4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperazine-1-carboxylate?
The InChIKey is GEFMSABOUAESKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O5S/c1-2-26-17(23)21-11-9-20(10-12-21)13-16(22)19-8-7-14-3-5-15(6-4-14)27(18,24)25/h3-6H,2,7-13H2,1H3,(H,19,22)(H2,18,24,25).
What are the key properties of ethyl 4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperazine-1-carboxylate?
ethyl 4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperazine-1-carboxylate has a molecular weight of 398.49 g/mol, XLogP of -0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 27154557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).