[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate

C19H16N2O5S2 — CID 46608843

IUPAC[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SMILESCc1nc(COc2ccc(C(=O)OCC(=O)NC(=O)c3cccs3)cc2)cs1
InChIInChI=1S/C19H16N2O5S2/c1-12-20-14(11-28-12)9-25-15-6-4-13(5-7-15)19(24)26-10-17(22)21-18(23)16-3-2-8-27-16/h2-8,11H,9-10H2,1H3,(H,21,22,23)
InChIKeyXSPAMIIAFLWDOZ-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.21
Rot. Bonds7

About [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate

[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate (PubChem CID 46608843) has the molecular formula C19H16N2O5S2 and a molecular weight of 416.48 g/mol. Its IUPAC name is [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate.

Molecular Properties

Compound Name[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
PubChem CID46608843
Molecular FormulaC19H16N2O5S2
Molecular Weight416.48 g/mol
Exact Mass416.05
IUPAC Name[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SMILESCc1nc(COc2ccc(C(=O)OCC(=O)NC(=O)c3cccs3)cc2)cs1
InChIInChI=1S/C19H16N2O5S2/c1-12-20-14(11-28-12)9-25-15-6-4-13(5-7-15)19(24)26-10-17(22)21-18(23)16-3-2-8-27-16/h2-8,11H,9-10H2,1H3,(H,21,22,23)
InChIKeyXSPAMIIAFLWDOZ-UHFFFAOYSA-N
XLogP3.21
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 33067827
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8552225
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 46611968
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide
CID 27700367
N-benzyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043200
N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzohydrazide
CID 9323740
N-(4-methoxyphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043458
N-methyl-4-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzamide
CID 9158663
[2-(3-ethylanilino)-2-oxoethyl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 39868886
3,4-dimethoxy-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]benzohydrazide
CID 34253937
N-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9046820
[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 43034541

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?
The IUPAC name of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate (CID 46608843) is [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate.
What is the SMILES notation for [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?
The canonical SMILES for [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate is Cc1nc(COc2ccc(C(=O)OCC(=O)NC(=O)c3cccs3)cc2)cs1.
What is the InChIKey of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?
The InChIKey is XSPAMIIAFLWDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5S2/c1-12-20-14(11-28-12)9-25-15-6-4-13(5-7-15)19(24)26-10-17(22)21-18(23)16-3-2-8-27-16/h2-8,11H,9-10H2,1H3,(H,21,22,23).
What are the key properties of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate has a molecular weight of 416.48 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate is sourced from PubChem (CID 46608843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).