(2-oxo-2-thiophen-2-ylethyl) 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate

C19H16N2O4S2 — CID 3995230

IUPAC(2-oxo-2-thiophen-2-ylethyl) 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate
SMILESO=C(CCC(=O)OCC(=O)c1cccs1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H16N2O4S2/c22-15(16-7-4-10-26-16)11-25-18(24)9-8-17(23)21-19-20-14(12-27-19)13-5-2-1-3-6-13/h1-7,10,12H,8-9,11H2,(H,20,21,23)
InChIKeyXYKCAUFIFKYSIN-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.02
Rot. Bonds8

About (2-oxo-2-thiophen-2-ylethyl) 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate

(2-oxo-2-thiophen-2-ylethyl) 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate (PubChem CID 3995230) has the molecular formula C19H16N2O4S2 and a molecular weight of 400.48 g/mol. Its IUPAC name is (2-oxo-2-thiophen-2-ylethyl) 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate.

Molecular Properties

Compound Name(2-oxo-2-thiophen-2-ylethyl) 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate
PubChem CID3995230
Molecular FormulaC19H16N2O4S2
Molecular Weight400.48 g/mol
Exact Mass400.06
IUPAC Name(2-oxo-2-thiophen-2-ylethyl) 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate
SMILESO=C(CCC(=O)OCC(=O)c1cccs1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H16N2O4S2/c22-15(16-7-4-10-26-16)11-25-18(24)9-8-17(23)21-19-20-14(12-27-19)13-5-2-1-3-6-13/h1-7,10,12H,8-9,11H2,(H,20,21,23)
InChIKeyXYKCAUFIFKYSIN-UHFFFAOYSA-N
XLogP4.02
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2-oxo-2-thiophen-2-ylethyl) 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate with MolForge

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Related Compounds

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide
CID 2474406
4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 804919
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-thiophen-2-ylacetate
CID 23791449
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 3-phenylpropanoate
CID 23851559
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide
CID 86885324
[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 4781966
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-(2-hydroxyphenoxy)acetate
CID 23761371
(2-oxo-2-thiophen-2-ylethyl) 5-oxo-5-(4-phenylsulfanylanilino)pentanoate
CID 3577313
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-cyclopentylacetate
CID 2340359
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 55610699

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-thiophen-2-ylethyl) 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate?
The IUPAC name of (2-oxo-2-thiophen-2-ylethyl) 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate (CID 3995230) is (2-oxo-2-thiophen-2-ylethyl) 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate.
What is the SMILES notation for (2-oxo-2-thiophen-2-ylethyl) 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate?
The canonical SMILES for (2-oxo-2-thiophen-2-ylethyl) 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate is O=C(CCC(=O)OCC(=O)c1cccs1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of (2-oxo-2-thiophen-2-ylethyl) 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate?
The InChIKey is XYKCAUFIFKYSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S2/c22-15(16-7-4-10-26-16)11-25-18(24)9-8-17(23)21-19-20-14(12-27-19)13-5-2-1-3-6-13/h1-7,10,12H,8-9,11H2,(H,20,21,23).
What are the key properties of (2-oxo-2-thiophen-2-ylethyl) 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate?
(2-oxo-2-thiophen-2-ylethyl) 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate has a molecular weight of 400.48 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-thiophen-2-ylethyl) 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate is sourced from PubChem (CID 3995230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).