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

C25H19NO6S2 — CID 25042549

IUPAC[2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoate
SMILESO=C(COC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H19NO6S2/c27-22-15-20(26-34(30,31)24-7-4-14-33-24)12-13-21(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
InChIKeySMQUNVAASACEMY-UHFFFAOYSA-N
MW493.56 g/mol
LogP4.96
Rot. Bonds8

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

[2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoate (PubChem CID 25042549) 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-4-(thiophen-2-ylsulfonylamino)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoate
PubChem CID25042549
Molecular FormulaC25H19NO6S2
Molecular Weight493.56 g/mol
Exact Mass493.07
IUPAC Name[2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoate
SMILESO=C(COC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H19NO6S2/c27-22-15-20(26-34(30,31)24-7-4-14-33-24)12-13-21(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
InChIKeySMQUNVAASACEMY-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

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Related Compounds

[2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate
CID 25041776
[2-(4-chlorophenyl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2380169
[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
N-benzyl-2-hydroxy-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78847492
[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-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoate
CID 25035071
2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid
CID 56828335
2-hydroxy-N-pentan-3-yl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78867915
N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3790087

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoate?
The IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoate (CID 25042549) is [2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoate.
What is the SMILES notation for [2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoate?
The canonical SMILES for [2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoate is O=C(COC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoate?
The InChIKey is SMQUNVAASACEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO6S2/c27-22-15-20(26-34(30,31)24-7-4-14-33-24)12-13-21(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-4-(thiophen-2-ylsulfonylamino)benzoate?
[2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-4-(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-4-(thiophen-2-ylsulfonylamino)benzoate is sourced from PubChem (CID 25042549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).