2-(2-amino-2-oxoethoxy)benzamide;ethanesulfonic acid

C11H16N2O6S — CID 172768099

IUPAC2-(2-amino-2-oxoethoxy)benzamide;ethanesulfonic acid
SMILESCCS(=O)(=O)O.NC(=O)COc1ccccc1C(N)=O
InChIInChI=1S/C9H10N2O3.C2H6O3S/c10-8(12)5-14-7-4-2-1-3-6(7)9(11)13;1-2-6(3,4)5/h1-4H,5H2,(H2,10,12)(H2,11,13);2H2,1H3,(H,3,4,5)
InChIKeyMOWVQJINBSTLFU-UHFFFAOYSA-N
MW304.32 g/mol
LogP-0.46
Rot. Bonds5

About 2-(2-amino-2-oxoethoxy)benzamide;ethanesulfonic acid

2-(2-amino-2-oxoethoxy)benzamide;ethanesulfonic acid (PubChem CID 172768099) has the molecular formula C11H16N2O6S and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethoxy)benzamide;ethanesulfonic acid.

Molecular Properties

Compound Name2-(2-amino-2-oxoethoxy)benzamide;ethanesulfonic acid
PubChem CID172768099
Molecular FormulaC11H16N2O6S
Molecular Weight304.32 g/mol
Exact Mass304.07
IUPAC Name2-(2-amino-2-oxoethoxy)benzamide;ethanesulfonic acid
SMILESCCS(=O)(=O)O.NC(=O)COc1ccccc1C(N)=O
InChIInChI=1S/C9H10N2O3.C2H6O3S/c10-8(12)5-14-7-4-2-1-3-6(7)9(11)13;1-2-6(3,4)5/h1-4H,5H2,(H2,10,12)(H2,11,13);2H2,1H3,(H,3,4,5)
InChIKeyMOWVQJINBSTLFU-UHFFFAOYSA-N
XLogP-0.46
TPSA149.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-(methylsulfonylmethoxy)benzamide
CID 118665617
methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027
2-[2-(methylamino)-2-oxoethoxy]benzamide
CID 2578374
2-[2-(2-methoxyphenyl)-2-oxoethoxy]benzamide
CID 43218560
2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]acetamide
CID 24699457
2-phenacyloxybenzamide
CID 43218588
propan-2-yl 2-(2-carbamoylphenoxy)acetate
CID 24633131
2-(3-amino-3-oxopropoxy)benzamide
CID 60713061
2-(2-amino-2-oxoethoxy)-N-butylbenzamide
CID 36711020
(2R)-2-[[2-(2-carbamoylphenoxy)acetyl]amino]propanoic acid
CID 54991568
2-(2-hydroxyphenoxy)acetamide
CID 786426
2-(2-cyclopropyl-2-oxoethoxy)benzamide
CID 63913562

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethoxy)benzamide;ethanesulfonic acid?
The IUPAC name of 2-(2-amino-2-oxoethoxy)benzamide;ethanesulfonic acid (CID 172768099) is 2-(2-amino-2-oxoethoxy)benzamide;ethanesulfonic acid.
What is the SMILES notation for 2-(2-amino-2-oxoethoxy)benzamide;ethanesulfonic acid?
The canonical SMILES for 2-(2-amino-2-oxoethoxy)benzamide;ethanesulfonic acid is CCS(=O)(=O)O.NC(=O)COc1ccccc1C(N)=O.
What is the InChIKey of 2-(2-amino-2-oxoethoxy)benzamide;ethanesulfonic acid?
The InChIKey is MOWVQJINBSTLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3.C2H6O3S/c10-8(12)5-14-7-4-2-1-3-6(7)9(11)13;1-2-6(3,4)5/h1-4H,5H2,(H2,10,12)(H2,11,13);2H2,1H3,(H,3,4,5).
What are the key properties of 2-(2-amino-2-oxoethoxy)benzamide;ethanesulfonic acid?
2-(2-amino-2-oxoethoxy)benzamide;ethanesulfonic acid has a molecular weight of 304.32 g/mol, XLogP of -0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethoxy)benzamide;ethanesulfonic acid is sourced from PubChem (CID 172768099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).