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

C16H19N3O5S — CID 4847522

IUPAC[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-methylpyrrole-2-carboxylate
SMILESCn1cccc1C(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H19N3O5S/c1-19-10-2-3-14(19)16(21)24-11-15(20)18-9-8-12-4-6-13(7-5-12)25(17,22)23/h2-7,10H,8-9,11H2,1H3,(H,18,20)(H2,17,22,23)
InChIKeyNIIDYXMWILYDCL-UHFFFAOYSA-N
MW365.41 g/mol
LogP0.19
Rot. Bonds7

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

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-methylpyrrole-2-carboxylate (PubChem CID 4847522) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-methylpyrrole-2-carboxylate
PubChem CID4847522
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-methylpyrrole-2-carboxylate
SMILESCn1cccc1C(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H19N3O5S/c1-19-10-2-3-14(19)16(21)24-11-15(20)18-9-8-12-4-6-13(7-5-12)25(17,22)23/h2-7,10H,8-9,11H2,1H3,(H,18,20)(H2,17,22,23)
InChIKeyNIIDYXMWILYDCL-UHFFFAOYSA-N
XLogP0.19
TPSA120.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-methylpyrrole-2-carboxylate?
The IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-methylpyrrole-2-carboxylate (CID 4847522) is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-methylpyrrole-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-methylpyrrole-2-carboxylate?
The canonical SMILES for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-methylpyrrole-2-carboxylate is Cn1cccc1C(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-methylpyrrole-2-carboxylate?
The InChIKey is NIIDYXMWILYDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S/c1-19-10-2-3-14(19)16(21)24-11-15(20)18-9-8-12-4-6-13(7-5-12)25(17,22)23/h2-7,10H,8-9,11H2,1H3,(H,18,20)(H2,17,22,23).
What are the key properties of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-methylpyrrole-2-carboxylate?
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-methylpyrrole-2-carboxylate has a molecular weight of 365.41 g/mol, XLogP of 0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 4847522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).