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

C14H21N3O6S — CID 11824513

IUPAC2-[2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]ethylamino]acetic acid
SMILESNS(=O)(=O)c1ccc(CCOC(=O)CNCCNCC(=O)O)cc1
InChIInChI=1S/C14H21N3O6S/c15-24(21,22)12-3-1-11(2-4-12)5-8-23-14(20)10-17-7-6-16-9-13(18)19/h1-4,16-17H,5-10H2,(H,18,19)(H2,15,21,22)
InChIKeyBKRRUHIWMGGQTB-UHFFFAOYSA-N
MW359.40 g/mol
LogP-1.32
Rot. Bonds11

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

2-[2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]ethylamino]acetic acid (PubChem CID 11824513) has the molecular formula C14H21N3O6S and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-[2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]ethylamino]acetic acid
PubChem CID11824513
Molecular FormulaC14H21N3O6S
Molecular Weight359.40 g/mol
Exact Mass359.12
IUPAC Name2-[2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]ethylamino]acetic acid
SMILESNS(=O)(=O)c1ccc(CCOC(=O)CNCCNCC(=O)O)cc1
InChIInChI=1S/C14H21N3O6S/c15-24(21,22)12-3-1-11(2-4-12)5-8-23-14(20)10-17-7-6-16-9-13(18)19/h1-4,16-17H,5-10H2,(H,18,19)(H2,15,21,22)
InChIKeyBKRRUHIWMGGQTB-UHFFFAOYSA-N
XLogP-1.32
TPSA147.82 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[carboxymethyl-[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]acetic acid
CID 10872446
2-phenylethyl N-(4-sulfamoylphenyl)carbamate
CID 127525088
butyl 3-(4-sulfamoylphenyl)propanoate
CID 35588023
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002532
4-(4-sulfamoylphenoxy)butanoic acid
CID 43164527
N-butan-2-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 108993382
2-cyclopropylethyl 3-(4-sulfamoylphenyl)propanoate
CID 103714875
N-pentyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002541
4-(2-phenylmethoxyethyl)benzenesulfonamide
CID 70517905
2-phenylethyl 4-oxo-4-[(4-sulfamoylphenyl)carbamothioylamino]butanoate
CID 4947177
N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108503154
butyl 2-(2-phenylethylamino)acetate
CID 60679601

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]ethylamino]acetic acid?
The IUPAC name of 2-[2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]ethylamino]acetic acid (CID 11824513) is 2-[2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]ethylamino]acetic acid.
What is the SMILES notation for 2-[2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]ethylamino]acetic acid?
The canonical SMILES for 2-[2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]ethylamino]acetic acid is NS(=O)(=O)c1ccc(CCOC(=O)CNCCNCC(=O)O)cc1.
What is the InChIKey of 2-[2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]ethylamino]acetic acid?
The InChIKey is BKRRUHIWMGGQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O6S/c15-24(21,22)12-3-1-11(2-4-12)5-8-23-14(20)10-17-7-6-16-9-13(18)19/h1-4,16-17H,5-10H2,(H,18,19)(H2,15,21,22).
What are the key properties of 2-[2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]ethylamino]acetic acid?
2-[2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]ethylamino]acetic acid has a molecular weight of 359.40 g/mol, XLogP of -1.32, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]ethylamino]acetic acid is sourced from PubChem (CID 11824513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).