[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate

C20H20N2O5S2 — CID 55995068

IUPAC[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
SMILESCC(=O)NCCc1ccc(C(=O)COC(=O)Cc2nc(-c3cccs3)oc2C)s1
InChIInChI=1S/C20H20N2O5S2/c1-12-15(22-20(27-12)18-4-3-9-28-18)10-19(25)26-11-16(24)17-6-5-14(29-17)7-8-21-13(2)23/h3-6,9H,7-8,10-11H2,1-2H3,(H,21,23)
InChIKeyDTQXEPJRZRLBQR-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.42
Rot. Bonds9

About [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate

[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate (PubChem CID 55995068) has the molecular formula C20H20N2O5S2 and a molecular weight of 432.52 g/mol. Its IUPAC name is [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate.

Molecular Properties

Compound Name[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
PubChem CID55995068
Molecular FormulaC20H20N2O5S2
Molecular Weight432.52 g/mol
Exact Mass432.08
IUPAC Name[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
SMILESCC(=O)NCCc1ccc(C(=O)COC(=O)Cc2nc(-c3cccs3)oc2C)s1
InChIInChI=1S/C20H20N2O5S2/c1-12-15(22-20(27-12)18-4-3-9-28-18)10-19(25)26-11-16(24)17-6-5-14(29-17)7-8-21-13(2)23/h3-6,9H,7-8,10-11H2,1-2H3,(H,21,23)
InChIKeyDTQXEPJRZRLBQR-UHFFFAOYSA-N
XLogP3.42
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 26968758
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
CID 55734605
3,3,3-trifluoropropyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
CID 99628868
prop-2-ynyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
CID 75416781
N-(2-aminoethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 119384938
N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]thiophene-2-carboxamide
CID 110415417
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 18229368
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 24526969
N-[2-(4-methoxyphenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 25475926
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 46646082
N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]acetamide
CID 155800416
2-ethyl-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]butanamide
CID 110415415

Frequently Asked Questions

What is the IUPAC name of [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate?
The IUPAC name of [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate (CID 55995068) is [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate.
What is the SMILES notation for [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate?
The canonical SMILES for [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate is CC(=O)NCCc1ccc(C(=O)COC(=O)Cc2nc(-c3cccs3)oc2C)s1.
What is the InChIKey of [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate?
The InChIKey is DTQXEPJRZRLBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S2/c1-12-15(22-20(27-12)18-4-3-9-28-18)10-19(25)26-11-16(24)17-6-5-14(29-17)7-8-21-13(2)23/h3-6,9H,7-8,10-11H2,1-2H3,(H,21,23).
What are the key properties of [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate?
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate has a molecular weight of 432.52 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate is sourced from PubChem (CID 55995068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).