2-[2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]ethylamino]acetic acid

C14H22N4O5S — CID 11728049

IUPAC2-[2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]ethylamino]acetic acid
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CNCCNCC(=O)O)cc1
InChIInChI=1S/C14H22N4O5S/c15-24(22,23)12-3-1-11(2-4-12)5-6-18-13(19)9-16-7-8-17-10-14(20)21/h1-4,16-17H,5-10H2,(H,18,19)(H,20,21)(H2,15,22,23)
InChIKeyKJUIXBZLBFLJDR-UHFFFAOYSA-N
MW358.42 g/mol
LogP-1.74
Rot. Bonds11

About 2-[2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]ethylamino]acetic acid

2-[2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]ethylamino]acetic acid (PubChem CID 11728049) has the molecular formula C14H22N4O5S and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-[2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]ethylamino]acetic acid
PubChem CID11728049
Molecular FormulaC14H22N4O5S
Molecular Weight358.42 g/mol
Exact Mass358.13
IUPAC Name2-[2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]ethylamino]acetic acid
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CNCCNCC(=O)O)cc1
InChIInChI=1S/C14H22N4O5S/c15-24(22,23)12-3-1-11(2-4-12)5-6-18-13(19)9-16-7-8-17-10-14(20)21/h1-4,16-17H,5-10H2,(H,18,19)(H,20,21)(H2,15,22,23)
InChIKeyKJUIXBZLBFLJDR-UHFFFAOYSA-N
XLogP-1.74
TPSA150.62 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 5-1.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]ethylamino]acetic acid?
The IUPAC name of 2-[2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]ethylamino]acetic acid (CID 11728049) is 2-[2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]ethylamino]acetic acid.
What is the SMILES notation for 2-[2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]ethylamino]acetic acid?
The canonical SMILES for 2-[2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]ethylamino]acetic acid is NS(=O)(=O)c1ccc(CCNC(=O)CNCCNCC(=O)O)cc1.
What is the InChIKey of 2-[2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]ethylamino]acetic acid?
The InChIKey is KJUIXBZLBFLJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O5S/c15-24(22,23)12-3-1-11(2-4-12)5-6-18-13(19)9-16-7-8-17-10-14(20)21/h1-4,16-17H,5-10H2,(H,18,19)(H,20,21)(H2,15,22,23).
What are the key properties of 2-[2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]ethylamino]acetic acid?
2-[2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]ethylamino]acetic acid has a molecular weight of 358.42 g/mol, XLogP of -1.74, 11 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]ethylamino]acetic acid is sourced from PubChem (CID 11728049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).