ethyl 2-oxo-2-[2-[(4-phenylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate

C19H16N2O5S2 — CID 91561880

IUPACethyl 2-oxo-2-[2-[(4-phenylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate
SMILESCCOC(=O)C(=O)c1cnc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C19H16N2O5S2/c1-2-26-18(23)17(22)16-12-20-19(27-16)21-28(24,25)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,20,21)
InChIKeySTCGCBGZIWBSIH-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.36
Rot. Bonds7

About ethyl 2-oxo-2-[2-[(4-phenylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate

ethyl 2-oxo-2-[2-[(4-phenylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate (PubChem CID 91561880) has the molecular formula C19H16N2O5S2 and a molecular weight of 416.48 g/mol. Its IUPAC name is ethyl 2-oxo-2-[2-[(4-phenylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-[2-[(4-phenylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate
PubChem CID91561880
Molecular FormulaC19H16N2O5S2
Molecular Weight416.48 g/mol
Exact Mass416.05
IUPAC Nameethyl 2-oxo-2-[2-[(4-phenylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate
SMILESCCOC(=O)C(=O)c1cnc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C19H16N2O5S2/c1-2-26-18(23)17(22)16-12-20-19(27-16)21-28(24,25)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,20,21)
InChIKeySTCGCBGZIWBSIH-UHFFFAOYSA-N
XLogP3.36
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-4-[2-[(4-phenylphenyl)sulfonylamino]-1,3-thiazol-5-yl]butanoic acid
CID 87499553
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]-2-oxoacetate
CID 53419366
ethyl 2-(2-methyl-1,3-thiazol-5-yl)-2-oxoacetate;2-(2-methyl-1,3-thiazol-5-yl)-2-oxoacetic acid
CID 161014927
4-(ethylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60822034
ethyl 2-phenyl-2-[(4-phenylphenyl)sulfonylamino]acetate
CID 3703536
N-[5-(benzenesulfonamido)-1,3-thiazol-2-yl]acetamide
CID 71326100
N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide
CID 87198601
4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 10222134
4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 54922138
N-methyl-2-[5-[(4-phenylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-propan-2-ylacetamide
CID 22028076
N-ethyl-N-methyl-2-[4-[(4-phenylphenyl)sulfonylamino]thiophen-3-yl]acetamide
CID 10173201
4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzenecarbothioamide
CID 29052014

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-[2-[(4-phenylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate?
The IUPAC name of ethyl 2-oxo-2-[2-[(4-phenylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate (CID 91561880) is ethyl 2-oxo-2-[2-[(4-phenylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-oxo-2-[2-[(4-phenylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate?
The canonical SMILES for ethyl 2-oxo-2-[2-[(4-phenylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate is CCOC(=O)C(=O)c1cnc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)s1.
What is the InChIKey of ethyl 2-oxo-2-[2-[(4-phenylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate?
The InChIKey is STCGCBGZIWBSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5S2/c1-2-26-18(23)17(22)16-12-20-19(27-16)21-28(24,25)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,20,21).
What are the key properties of ethyl 2-oxo-2-[2-[(4-phenylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate?
ethyl 2-oxo-2-[2-[(4-phenylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate has a molecular weight of 416.48 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-[2-[(4-phenylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate is sourced from PubChem (CID 91561880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).