ethyl 2-[[2-[2-(2-oxo-1-pyridinyl)acetyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate

C19H22N2O6S — CID 8986965

IUPACethyl 2-[[2-[2-(2-oxo-1-pyridinyl)acetyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C(C)C)sc1NC(=O)COC(=O)Cn1ccccc1=O
InChIInChI=1S/C19H22N2O6S/c1-4-26-19(25)13-9-14(12(2)3)28-18(13)20-15(22)11-27-17(24)10-21-8-6-5-7-16(21)23/h5-9,12H,4,10-11H2,1-3H3,(H,20,22)
InChIKeyMTMZMVRKXLMEPL-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.39
Rot. Bonds8

About ethyl 2-[[2-[2-(2-oxo-1-pyridinyl)acetyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate

ethyl 2-[[2-[2-(2-oxo-1-pyridinyl)acetyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate (PubChem CID 8986965) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is ethyl 2-[[2-[2-(2-oxo-1-pyridinyl)acetyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-[2-(2-oxo-1-pyridinyl)acetyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
PubChem CID8986965
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC Nameethyl 2-[[2-[2-(2-oxo-1-pyridinyl)acetyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C(C)C)sc1NC(=O)COC(=O)Cn1ccccc1=O
InChIInChI=1S/C19H22N2O6S/c1-4-26-19(25)13-9-14(12(2)3)28-18(13)20-15(22)11-27-17(24)10-21-8-6-5-7-16(21)23/h5-9,12H,4,10-11H2,1-3H3,(H,20,22)
InChIKeyMTMZMVRKXLMEPL-UHFFFAOYSA-N
XLogP2.39
TPSA103.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[2-[2-(2-oxo-1-pyridinyl)acetyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[[2-[2-(4-methoxyphenyl)acetyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 8011407
ethyl 2-[[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 7860663
ethyl 2-(3-phenylpropanoylamino)-5-propan-2-ylthiophene-3-carboxylate
CID 24720095
ethyl 2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 7698554
ethyl 2-[[2-[(1R,2R)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 7777018
ethyl 2-[[2-[(1S)-cyclohex-3-ene-1-carbonyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 7932221
ethyl 2-[[2-(2,3-dichlorophenoxy)acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 7916277
ethyl 2-[[2-(4-carbamoylphenoxy)acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 7893415
ethyl 2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 25494351
ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 4269855
ethyl 2-[[2-(adamantane-1-carbonyloxy)acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 3642795
ethyl 2-[[2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 6277389

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[2-(2-oxo-1-pyridinyl)acetyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-[2-(2-oxo-1-pyridinyl)acetyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate (CID 8986965) is ethyl 2-[[2-[2-(2-oxo-1-pyridinyl)acetyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-[2-(2-oxo-1-pyridinyl)acetyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-[2-(2-oxo-1-pyridinyl)acetyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate is CCOC(=O)c1cc(C(C)C)sc1NC(=O)COC(=O)Cn1ccccc1=O.
What is the InChIKey of ethyl 2-[[2-[2-(2-oxo-1-pyridinyl)acetyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate?
The InChIKey is MTMZMVRKXLMEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-4-26-19(25)13-9-14(12(2)3)28-18(13)20-15(22)11-27-17(24)10-21-8-6-5-7-16(21)23/h5-9,12H,4,10-11H2,1-3H3,(H,20,22).
What are the key properties of ethyl 2-[[2-[2-(2-oxo-1-pyridinyl)acetyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate?
ethyl 2-[[2-[2-(2-oxo-1-pyridinyl)acetyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate has a molecular weight of 406.46 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[2-(2-oxo-1-pyridinyl)acetyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate is sourced from PubChem (CID 8986965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).