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

C12H18N4O5S — CID 10871235

IUPAC2-[2-[[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]ethylamino]acetic acid
SMILESNS(=O)(=O)c1ccccc1NC(=O)CNCCNCC(=O)O
InChIInChI=1S/C12H18N4O5S/c13-22(20,21)10-4-2-1-3-9(10)16-11(17)7-14-5-6-15-8-12(18)19/h1-4,14-15H,5-8H2,(H,16,17)(H,18,19)(H2,13,20,21)
InChIKeyCFEYCFUMEMKVLP-UHFFFAOYSA-N
MW330.37 g/mol
LogP-1.46
Rot. Bonds9

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

2-[2-[[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]ethylamino]acetic acid (PubChem CID 10871235) has the molecular formula C12H18N4O5S and a molecular weight of 330.37 g/mol. Its IUPAC name is 2-[2-[[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]ethylamino]acetic acid
PubChem CID10871235
Molecular FormulaC12H18N4O5S
Molecular Weight330.37 g/mol
Exact Mass330.10
IUPAC Name2-[2-[[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]ethylamino]acetic acid
SMILESNS(=O)(=O)c1ccccc1NC(=O)CNCCNCC(=O)O
InChIInChI=1S/C12H18N4O5S/c13-22(20,21)10-4-2-1-3-9(10)16-11(17)7-14-5-6-15-8-12(18)19/h1-4,14-15H,5-8H2,(H,16,17)(H,18,19)(H2,13,20,21)
InChIKeyCFEYCFUMEMKVLP-UHFFFAOYSA-N
XLogP-1.46
TPSA150.62 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 5-1.46
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-sulfamoylanilino)ethyl]amino]ethylamino]acetic acid?
The IUPAC name of 2-[2-[[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]ethylamino]acetic acid (CID 10871235) is 2-[2-[[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]ethylamino]acetic acid.
What is the SMILES notation for 2-[2-[[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]ethylamino]acetic acid?
The canonical SMILES for 2-[2-[[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]ethylamino]acetic acid is NS(=O)(=O)c1ccccc1NC(=O)CNCCNCC(=O)O.
What is the InChIKey of 2-[2-[[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]ethylamino]acetic acid?
The InChIKey is CFEYCFUMEMKVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O5S/c13-22(20,21)10-4-2-1-3-9(10)16-11(17)7-14-5-6-15-8-12(18)19/h1-4,14-15H,5-8H2,(H,16,17)(H,18,19)(H2,13,20,21).
What are the key properties of 2-[2-[[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]ethylamino]acetic acid?
2-[2-[[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]ethylamino]acetic acid has a molecular weight of 330.37 g/mol, XLogP of -1.46, 9 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-sulfamoylanilino)ethyl]amino]ethylamino]acetic acid is sourced from PubChem (CID 10871235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).