2-(N-(2-ethoxy-2-oxoethyl)sulfonylanilino)acetic acid

C12H15NO6S — CID 61456675

IUPAC2-(N-(2-ethoxy-2-oxoethyl)sulfonylanilino)acetic acid
SMILESCCOC(=O)CS(=O)(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C12H15NO6S/c1-2-19-12(16)9-20(17,18)13(8-11(14)15)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,15)
InChIKeyKQOKBNBEABCZAL-UHFFFAOYSA-N
MW301.32 g/mol
LogP0.47
Rot. Bonds7

About 2-(N-(2-ethoxy-2-oxoethyl)sulfonylanilino)acetic acid

2-(N-(2-ethoxy-2-oxoethyl)sulfonylanilino)acetic acid (PubChem CID 61456675) has the molecular formula C12H15NO6S and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-(N-(2-ethoxy-2-oxoethyl)sulfonylanilino)acetic acid.

Molecular Properties

Compound Name2-(N-(2-ethoxy-2-oxoethyl)sulfonylanilino)acetic acid
PubChem CID61456675
Molecular FormulaC12H15NO6S
Molecular Weight301.32 g/mol
Exact Mass301.06
IUPAC Name2-(N-(2-ethoxy-2-oxoethyl)sulfonylanilino)acetic acid
SMILESCCOC(=O)CS(=O)(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C12H15NO6S/c1-2-19-12(16)9-20(17,18)13(8-11(14)15)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,15)
InChIKeyKQOKBNBEABCZAL-UHFFFAOYSA-N
XLogP0.47
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-N-(2-ethoxy-2-oxoethyl)sulfonylanilino)acetic acid
CID 61456711
ethyl 2-(N-methylsulfonylanilino)acetate
CID 5001910
ethyl 2-(N-sulfamoylanilino)acetate
CID 67139831
ethyl 2-[N-(dimethylsulfamoyl)anilino]acetate
CID 3546283
2-(N-(4-methoxy-4-oxobutyl)sulfonylanilino)acetic acid
CID 61457220
ethyl 2-(N-(4-nitrophenyl)sulfonylanilino)acetate
CID 100524720
2-[(2-ethoxy-2-oxoethyl)sulfonyl-(2-methylpropyl)amino]acetic acid
CID 63064138
2-[3-chloro-N-(2-ethoxyethylsulfonyl)anilino]acetic acid
CID 63246191
N-ethyl-N-(3-methylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153695
2-(3-chloro-N-propylsulfonylanilino)acetic acid
CID 28765738
ethyl 2-(4-bromo-N-methylsulfonylanilino)acetate
CID 50890872
ethyl 2-[methoxy(methyl)sulfamoyl]acetate
CID 64591182

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-ethoxy-2-oxoethyl)sulfonylanilino)acetic acid?
The IUPAC name of 2-(N-(2-ethoxy-2-oxoethyl)sulfonylanilino)acetic acid (CID 61456675) is 2-(N-(2-ethoxy-2-oxoethyl)sulfonylanilino)acetic acid.
What is the SMILES notation for 2-(N-(2-ethoxy-2-oxoethyl)sulfonylanilino)acetic acid?
The canonical SMILES for 2-(N-(2-ethoxy-2-oxoethyl)sulfonylanilino)acetic acid is CCOC(=O)CS(=O)(=O)N(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-(N-(2-ethoxy-2-oxoethyl)sulfonylanilino)acetic acid?
The InChIKey is KQOKBNBEABCZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO6S/c1-2-19-12(16)9-20(17,18)13(8-11(14)15)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,15).
What are the key properties of 2-(N-(2-ethoxy-2-oxoethyl)sulfonylanilino)acetic acid?
2-(N-(2-ethoxy-2-oxoethyl)sulfonylanilino)acetic acid has a molecular weight of 301.32 g/mol, XLogP of 0.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-ethoxy-2-oxoethyl)sulfonylanilino)acetic acid is sourced from PubChem (CID 61456675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).