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

C16H24N4O5S — CID 108989656

IUPACethyl 4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C16H24N4O5S/c1-2-25-16(22)20-11-9-19(10-12-20)15(21)18-8-7-13-3-5-14(6-4-13)26(17,23)24/h3-6H,2,7-12H2,1H3,(H,18,21)(H2,17,23,24)
InChIKeyPZZWJYWJXAJYSD-UHFFFAOYSA-N
MW384.46 g/mol
LogP0.36
Rot. Bonds5

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

ethyl 4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]piperazine-1-carboxylate (PubChem CID 108989656) has the molecular formula C16H24N4O5S and a molecular weight of 384.46 g/mol. Its IUPAC name is ethyl 4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]piperazine-1-carboxylate
PubChem CID108989656
Molecular FormulaC16H24N4O5S
Molecular Weight384.46 g/mol
Exact Mass384.15
IUPAC Nameethyl 4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C16H24N4O5S/c1-2-25-16(22)20-11-9-19(10-12-20)15(21)18-8-7-13-3-5-14(6-4-13)26(17,23)24/h3-6H,2,7-12H2,1H3,(H,18,21)(H2,17,23,24)
InChIKeyPZZWJYWJXAJYSD-UHFFFAOYSA-N
XLogP0.36
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperazine-1-carboxylate
CID 27154557
N-pentyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide
CID 113109842
ethyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 49132871
ethyl 4-[2-(2-methylphenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 38151040
N-prop-2-enyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide
CID 113103670
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
ethyl 4-[2-(4-ethylphenoxy)ethylcarbamoyl]piperazine-1-carboxylate
CID 112972060
4-ethyl-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide
CID 108891161
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
2-oxo-2-piperidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108517282
N-(2-methoxyethyl)-4-(4-sulfamoylphenyl)piperazine-1-carboxamide
CID 86776771
N-ethyl-3-(4-sulfamoylphenyl)propanamide
CID 47109333

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]piperazine-1-carboxylate (CID 108989656) is ethyl 4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of ethyl 4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]piperazine-1-carboxylate?
The InChIKey is PZZWJYWJXAJYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O5S/c1-2-25-16(22)20-11-9-19(10-12-20)15(21)18-8-7-13-3-5-14(6-4-13)26(17,23)24/h3-6H,2,7-12H2,1H3,(H,18,21)(H2,17,23,24).
What are the key properties of ethyl 4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]piperazine-1-carboxylate?
ethyl 4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]piperazine-1-carboxylate has a molecular weight of 384.46 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]piperazine-1-carboxylate is sourced from PubChem (CID 108989656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).