[2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate

C25H19NO6S2 — CID 25041776

IUPAC[2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate
SMILESO=C(COC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H19NO6S2/c27-22-13-12-20(26-34(30,31)24-7-4-14-33-24)15-21(22)25(29)32-16-23(28)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-15,26-27H,16H2
InChIKeyYAXPGDAQSSPUPN-UHFFFAOYSA-N
MW493.56 g/mol
LogP4.96
Rot. Bonds8

About [2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate

[2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate (PubChem CID 25041776) has the molecular formula C25H19NO6S2 and a molecular weight of 493.56 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate
PubChem CID25041776
Molecular FormulaC25H19NO6S2
Molecular Weight493.56 g/mol
Exact Mass493.07
IUPAC Name[2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate
SMILESO=C(COC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H19NO6S2/c27-22-13-12-20(26-34(30,31)24-7-4-14-33-24)15-21(22)25(29)32-16-23(28)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-15,26-27H,16H2
InChIKeyYAXPGDAQSSPUPN-UHFFFAOYSA-N
XLogP4.96
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze [2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate 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

[2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoate
CID 25042549
[2-(4-bromoanilino)-2-oxoethyl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate
CID 25035059
[2-(azepan-1-yl)-2-oxoethyl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate
CID 25045245
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate
CID 25041255
[2-(4-chlorophenyl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2380169
[2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate
CID 4157813
2-carboxy-4-(thiophen-2-ylsulfonylamino)phenolate
CID 54711268
2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid
CID 56828335
(2-amino-2-oxoethyl) 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2620159
[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoate
CID 25044074
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoate
CID 41305756
(3,3-dimethyl-2-oxobutyl) 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
CID 25037570

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate?
The IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate (CID 25041776) is [2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate.
What is the SMILES notation for [2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate?
The canonical SMILES for [2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate is O=C(COC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate?
The InChIKey is YAXPGDAQSSPUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO6S2/c27-22-13-12-20(26-34(30,31)24-7-4-14-33-24)15-21(22)25(29)32-16-23(28)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-15,26-27H,16H2.
What are the key properties of [2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate?
[2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate has a molecular weight of 493.56 g/mol, XLogP of 4.96, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate is sourced from PubChem (CID 25041776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).