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

C12H18N4O5S — CID 11809670

IUPAC2-[2-[[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethylamino]acetic acid
SMILESNS(=O)(=O)c1ccc(NC(=O)CNCCNCC(=O)O)cc1
InChIInChI=1S/C12H18N4O5S/c13-22(20,21)10-3-1-9(2-4-10)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)
InChIKeyNLPBFUXSJVMCFL-UHFFFAOYSA-N
MW330.37 g/mol
LogP-1.46
Rot. Bonds9

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

2-[2-[[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethylamino]acetic acid (PubChem CID 11809670) has the molecular formula C12H18N4O5S and a molecular weight of 330.37 g/mol. Its IUPAC name is 2-[2-[[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethylamino]acetic acid
PubChem CID11809670
Molecular FormulaC12H18N4O5S
Molecular Weight330.37 g/mol
Exact Mass330.10
IUPAC Name2-[2-[[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethylamino]acetic acid
SMILESNS(=O)(=O)c1ccc(NC(=O)CNCCNCC(=O)O)cc1
InChIInChI=1S/C12H18N4O5S/c13-22(20,21)10-3-1-9(2-4-10)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)
InChIKeyNLPBFUXSJVMCFL-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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Related Compounds

Acediasulfone
CID 66451
N-[4-(hydroxysulfamoyl)phenyl]acetamide
CID 283995
2-morpholin-4-yl-N-(4-sulfamoylphenyl)acetamide
CID 180598
Acetamide, N-[4-[(dimethylamino)sulfonyl]phenyl]-
CID 97278
1-((4-(Acetylamino)phenyl)sulfonyl)-2-piperidinecarboxylic acid
CID 2770165
N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]acetamide
CID 720658
Carbamic acid, (4-(((2-hydroxyethyl)amino)sulfonyl)phenyl)-, methyl ester
CID 1714975
Acetanilide, 4'-(bis(2-hydroxyethyl)sulfamoyl)-
CID 97561
2-(4-Acetamidobenzenesulfonamido)acetic acid
CID 271680
(Z)-4-oxo-4-((4-sulfamoylphenyl)amino)but-2-enoic acid
CID 1551141
2-{[4-(dimethylamino)benzene](2-methylpropyl)sulfonamido}-N-hydroxyacetamide
CID 10640100
2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 1241259

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethylamino]acetic acid?
The IUPAC name of 2-[2-[[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethylamino]acetic acid (CID 11809670) is 2-[2-[[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethylamino]acetic acid.
What is the SMILES notation for 2-[2-[[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethylamino]acetic acid?
The canonical SMILES for 2-[2-[[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethylamino]acetic acid is NS(=O)(=O)c1ccc(NC(=O)CNCCNCC(=O)O)cc1.
What is the InChIKey of 2-[2-[[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethylamino]acetic acid?
The InChIKey is NLPBFUXSJVMCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O5S/c13-22(20,21)10-3-1-9(2-4-10)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-(4-sulfamoylanilino)ethyl]amino]ethylamino]acetic acid?
2-[2-[[2-oxo-2-(4-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-(4-sulfamoylanilino)ethyl]amino]ethylamino]acetic acid is sourced from PubChem (CID 11809670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).