2-[(2,2-diphenylacetyl)amino]ethanesulfonic acid

C16H17NO4S — CID 7209593

IUPAC2-[(2,2-diphenylacetyl)amino]ethanesulfonic acid
SMILESO=C(NCCS(=O)(=O)O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO4S/c18-16(17-11-12-22(19,20)21)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,17,18)(H,19,20,21)
InChIKeyDBFWRHWHOHZJHD-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.82
Rot. Bonds6

About 2-[(2,2-diphenylacetyl)amino]ethanesulfonic acid

2-[(2,2-diphenylacetyl)amino]ethanesulfonic acid (PubChem CID 7209593) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-[(2,2-diphenylacetyl)amino]ethanesulfonic acid.

Molecular Properties

Compound Name2-[(2,2-diphenylacetyl)amino]ethanesulfonic acid
PubChem CID7209593
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name2-[(2,2-diphenylacetyl)amino]ethanesulfonic acid
SMILESO=C(NCCS(=O)(=O)O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO4S/c18-16(17-11-12-22(19,20)21)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,17,18)(H,19,20,21)
InChIKeyDBFWRHWHOHZJHD-UHFFFAOYSA-N
XLogP1.82
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2,2-diphenylacetyl)amino]ethanesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-but-3-ynyl-2,2-diphenylacetamide
CID 90537904
2,2-diphenyl-N-(3-sulfamoylpropyl)acetamide
CID 47067593
N-dodecyl-2,2-diphenylacetamide
CID 5143289
N-(3-aminopropyl)-2,2-diphenylacetamide
CID 10539859
2-[1-oxo-1-(2-sulfoethylamino)propan-2-yl]-3-phenylpentanoate
CID 177093159
N-(11-oxoundecyl)-2,2-diphenylacetamide
CID 54147901
N-(2-amino-2-methylpropyl)-2,2-diphenylacetamide
CID 119628942
2-amino-N-(2-ethylsulfonylethyl)-2-phenylacetamide
CID 113264121
2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]ethanesulfonic acid
CID 46208268
2-(2-methylpropanoylamino)ethanesulfonic acid
CID 89280118
N-[2-(methylamino)propyl]-2,2-diphenylacetamide
CID 120829016
N-[2-(5-bromothiophen-2-yl)ethyl]-2,2-diphenylacetamide
CID 17415290

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-diphenylacetyl)amino]ethanesulfonic acid?
The IUPAC name of 2-[(2,2-diphenylacetyl)amino]ethanesulfonic acid (CID 7209593) is 2-[(2,2-diphenylacetyl)amino]ethanesulfonic acid.
What is the SMILES notation for 2-[(2,2-diphenylacetyl)amino]ethanesulfonic acid?
The canonical SMILES for 2-[(2,2-diphenylacetyl)amino]ethanesulfonic acid is O=C(NCCS(=O)(=O)O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(2,2-diphenylacetyl)amino]ethanesulfonic acid?
The InChIKey is DBFWRHWHOHZJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c18-16(17-11-12-22(19,20)21)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,17,18)(H,19,20,21).
What are the key properties of 2-[(2,2-diphenylacetyl)amino]ethanesulfonic acid?
2-[(2,2-diphenylacetyl)amino]ethanesulfonic acid has a molecular weight of 319.38 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-diphenylacetyl)amino]ethanesulfonic acid is sourced from PubChem (CID 7209593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).