ethyl 5-ethyl-2-[[2-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]oxyacetyl]amino]thiophene-3-carboxylate

C20H23N3O6S2 — CID 55403403

IUPACethyl 5-ethyl-2-[[2-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]oxyacetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)Cc1csc(N2CCCC2=O)n1
InChIInChI=1S/C20H23N3O6S2/c1-3-13-9-14(19(27)28-4-2)18(31-13)22-15(24)10-29-17(26)8-12-11-30-20(21-12)23-7-5-6-16(23)25/h9,11H,3-8,10H2,1-2H3,(H,22,24)
InChIKeyPFZLLVWXNYOMER-UHFFFAOYSA-N
MW465.55 g/mol
LogP2.79
Rot. Bonds9

About ethyl 5-ethyl-2-[[2-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]oxyacetyl]amino]thiophene-3-carboxylate

ethyl 5-ethyl-2-[[2-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]oxyacetyl]amino]thiophene-3-carboxylate (PubChem CID 55403403) has the molecular formula C20H23N3O6S2 and a molecular weight of 465.55 g/mol. Its IUPAC name is ethyl 5-ethyl-2-[[2-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]oxyacetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-[[2-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]oxyacetyl]amino]thiophene-3-carboxylate
PubChem CID55403403
Molecular FormulaC20H23N3O6S2
Molecular Weight465.55 g/mol
Exact Mass465.10
IUPAC Nameethyl 5-ethyl-2-[[2-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]oxyacetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)Cc1csc(N2CCCC2=O)n1
InChIInChI=1S/C20H23N3O6S2/c1-3-13-9-14(19(27)28-4-2)18(31-13)22-15(24)10-29-17(26)8-12-11-30-20(21-12)23-7-5-6-16(23)25/h9,11H,3-8,10H2,1-2H3,(H,22,24)
InChIKeyPFZLLVWXNYOMER-UHFFFAOYSA-N
XLogP2.79
TPSA114.90 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 5-ethyl-2-[[2-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]oxyacetyl]amino]thiophene-3-carboxylate with MolForge

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Related Compounds

[2-(3-methylanilino)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667687
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667695
(2-anilino-2-oxoethyl) 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667672
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667884
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667697
[2-(cyclohexylamino)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667730
[2-(benzylamino)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667673
ethyl 5-ethyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate
CID 18075486
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667870
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667889
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667790
2-(4-methylphenoxy)ethyl 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667804

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-[[2-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]oxyacetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-[[2-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]oxyacetyl]amino]thiophene-3-carboxylate (CID 55403403) is ethyl 5-ethyl-2-[[2-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]oxyacetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-[[2-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]oxyacetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-[[2-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]oxyacetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)Cc1csc(N2CCCC2=O)n1.
What is the InChIKey of ethyl 5-ethyl-2-[[2-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]oxyacetyl]amino]thiophene-3-carboxylate?
The InChIKey is PFZLLVWXNYOMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6S2/c1-3-13-9-14(19(27)28-4-2)18(31-13)22-15(24)10-29-17(26)8-12-11-30-20(21-12)23-7-5-6-16(23)25/h9,11H,3-8,10H2,1-2H3,(H,22,24).
What are the key properties of ethyl 5-ethyl-2-[[2-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]oxyacetyl]amino]thiophene-3-carboxylate?
ethyl 5-ethyl-2-[[2-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]oxyacetyl]amino]thiophene-3-carboxylate has a molecular weight of 465.55 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-[[2-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]oxyacetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 55403403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).