2-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethoxy]acetic acid

C12H16N2O6S — CID 60708265

IUPAC2-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethoxy]acetic acid
SMILESCC(NC(=O)COCC(=O)O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H16N2O6S/c1-8(14-11(15)6-20-7-12(16)17)9-2-4-10(5-3-9)21(13,18)19/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17)(H2,13,18,19)
InChIKeyGACPPXSMGJLOHW-UHFFFAOYSA-N
MW316.34 g/mol
LogP-0.39
Rot. Bonds7

About 2-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethoxy]acetic acid

2-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethoxy]acetic acid (PubChem CID 60708265) has the molecular formula C12H16N2O6S and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethoxy]acetic acid
PubChem CID60708265
Molecular FormulaC12H16N2O6S
Molecular Weight316.34 g/mol
Exact Mass316.07
IUPAC Name2-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethoxy]acetic acid
SMILESCC(NC(=O)COCC(=O)O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H16N2O6S/c1-8(14-11(15)6-20-7-12(16)17)9-2-4-10(5-3-9)21(13,18)19/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17)(H2,13,18,19)
InChIKeyGACPPXSMGJLOHW-UHFFFAOYSA-N
XLogP-0.39
TPSA135.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]acetic acid
CID 17267498
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
3,3-diphenyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 4793818
[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 4-ethylbenzoate
CID 9230085
2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182
2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 2572446
2-(2,5-dimethylphenoxy)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51146608
2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 34662548
4-oxo-4-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]butanamide
CID 41023431
[2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 3-methylthiophene-2-carboxylate
CID 9008710
[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(4-methoxyphenyl)acetate
CID 9201232
2-[2-oxo-2-(1-thiophen-3-ylethylamino)ethoxy]acetic acid
CID 62841517

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethoxy]acetic acid (CID 60708265) is 2-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethoxy]acetic acid is CC(NC(=O)COCC(=O)O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethoxy]acetic acid?
The InChIKey is GACPPXSMGJLOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6S/c1-8(14-11(15)6-20-7-12(16)17)9-2-4-10(5-3-9)21(13,18)19/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17)(H2,13,18,19).
What are the key properties of 2-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethoxy]acetic acid?
2-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethoxy]acetic acid has a molecular weight of 316.34 g/mol, XLogP of -0.39, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethoxy]acetic acid is sourced from PubChem (CID 60708265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).