ethyl 2-[[2-(5-acetamido-2-methoxyanilino)acetyl]amino]-5-ethylthiophene-3-carboxylate

C20H25N3O5S — CID 24583306

IUPACethyl 2-[[2-(5-acetamido-2-methoxyanilino)acetyl]amino]-5-ethylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)CNc1cc(NC(C)=O)ccc1OC
InChIInChI=1S/C20H25N3O5S/c1-5-14-10-15(20(26)28-6-2)19(29-14)23-18(25)11-21-16-9-13(22-12(3)24)7-8-17(16)27-4/h7-10,21H,5-6,11H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyHTKPWKAWFAQFDG-UHFFFAOYSA-N
MW419.50 g/mol
LogP3.50
Rot. Bonds9

About ethyl 2-[[2-(5-acetamido-2-methoxyanilino)acetyl]amino]-5-ethylthiophene-3-carboxylate

ethyl 2-[[2-(5-acetamido-2-methoxyanilino)acetyl]amino]-5-ethylthiophene-3-carboxylate (PubChem CID 24583306) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is ethyl 2-[[2-(5-acetamido-2-methoxyanilino)acetyl]amino]-5-ethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(5-acetamido-2-methoxyanilino)acetyl]amino]-5-ethylthiophene-3-carboxylate
PubChem CID24583306
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Nameethyl 2-[[2-(5-acetamido-2-methoxyanilino)acetyl]amino]-5-ethylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)CNc1cc(NC(C)=O)ccc1OC
InChIInChI=1S/C20H25N3O5S/c1-5-14-10-15(20(26)28-6-2)19(29-14)23-18(25)11-21-16-9-13(22-12(3)24)7-8-17(16)27-4/h7-10,21H,5-6,11H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyHTKPWKAWFAQFDG-UHFFFAOYSA-N
XLogP3.50
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-ethyl-2-[[2-(methylamino)acetyl]amino]thiophene-3-carboxylate
CID 60648647
ethyl 2-[[2-[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]anilino]acetyl]amino]-5-ethylthiophene-3-carboxylate
CID 24583392
ethyl 5-ethyl-2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]thiophene-3-carboxylate
CID 46562031
2-(5-acetamido-2-methoxyanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 8965842
2-(5-acetamido-2-fluoroanilino)-N-(5-acetamido-2-methoxyphenyl)acetamide
CID 37279177
ethyl 5-ethyl-2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylate
CID 8633848
N-[3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]acetamide
CID 60982787
ethyl 5-ethyl-2-(3-methylpentanoylamino)thiophene-3-carboxylate
CID 114875722
ethyl 5-ethyl-2-[3-(ethylamino)propanoylamino]thiophene-3-carboxylate
CID 62834986
ethyl 2-[[2-(4-acetylphenoxy)acetyl]amino]-5-ethylthiophene-3-carboxylate
CID 7763780
ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-5-ethylthiophene-3-carboxylate
CID 19221299
ethyl 5-ethyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate
CID 2220326

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(5-acetamido-2-methoxyanilino)acetyl]amino]-5-ethylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-(5-acetamido-2-methoxyanilino)acetyl]amino]-5-ethylthiophene-3-carboxylate (CID 24583306) is ethyl 2-[[2-(5-acetamido-2-methoxyanilino)acetyl]amino]-5-ethylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(5-acetamido-2-methoxyanilino)acetyl]amino]-5-ethylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-(5-acetamido-2-methoxyanilino)acetyl]amino]-5-ethylthiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)CNc1cc(NC(C)=O)ccc1OC.
What is the InChIKey of ethyl 2-[[2-(5-acetamido-2-methoxyanilino)acetyl]amino]-5-ethylthiophene-3-carboxylate?
The InChIKey is HTKPWKAWFAQFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-5-14-10-15(20(26)28-6-2)19(29-14)23-18(25)11-21-16-9-13(22-12(3)24)7-8-17(16)27-4/h7-10,21H,5-6,11H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of ethyl 2-[[2-(5-acetamido-2-methoxyanilino)acetyl]amino]-5-ethylthiophene-3-carboxylate?
ethyl 2-[[2-(5-acetamido-2-methoxyanilino)acetyl]amino]-5-ethylthiophene-3-carboxylate has a molecular weight of 419.50 g/mol, XLogP of 3.50, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(5-acetamido-2-methoxyanilino)acetyl]amino]-5-ethylthiophene-3-carboxylate is sourced from PubChem (CID 24583306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).