ethyl 2-[(2-methoxyacetyl)amino]-5-phenylthiophene-3-carboxylate

C16H17NO4S — CID 733295

IUPACethyl 2-[(2-methoxyacetyl)amino]-5-phenylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COC
InChIInChI=1S/C16H17NO4S/c1-3-21-16(19)12-9-13(11-7-5-4-6-8-11)22-15(12)17-14(18)10-20-2/h4-9H,3,10H2,1-2H3,(H,17,18)
InChIKeyREAZNNATVRIACD-UHFFFAOYSA-N
MW319.38 g/mol
LogP3.18
Rot. Bonds6

About ethyl 2-[(2-methoxyacetyl)amino]-5-phenylthiophene-3-carboxylate

ethyl 2-[(2-methoxyacetyl)amino]-5-phenylthiophene-3-carboxylate (PubChem CID 733295) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is ethyl 2-[(2-methoxyacetyl)amino]-5-phenylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-methoxyacetyl)amino]-5-phenylthiophene-3-carboxylate
PubChem CID733295
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Nameethyl 2-[(2-methoxyacetyl)amino]-5-phenylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COC
InChIInChI=1S/C16H17NO4S/c1-3-21-16(19)12-9-13(11-7-5-4-6-8-11)22-15(12)17-14(18)10-20-2/h4-9H,3,10H2,1-2H3,(H,17,18)
InChIKeyREAZNNATVRIACD-UHFFFAOYSA-N
XLogP3.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(5-methoxy-5-oxopentanoyl)amino]-5-phenylthiophene-3-carboxylate
CID 46094676
ethyl 2-(butanoylamino)-5-phenylthiophene-3-carboxylate
CID 949199
ethyl 5-phenyl-2-[[2-(2-propan-2-ylphenoxy)acetyl]amino]thiophene-3-carboxylate
CID 35569915
ethyl 2-[[2-(4-ethylpyridin-1-ium-1-yl)acetyl]amino]-5-phenylthiophene-3-carboxylate
CID 8856806
[(2R)-butan-2-yl]-[2-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-2-oxoethyl]azanium
CID 2097675
[(2S)-butan-2-yl]-[2-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-2-oxoethyl]azanium
CID 2097677
ethyl 2-[[(2S)-2-chloropropanoyl]amino]-5-phenylthiophene-3-carboxylate
CID 2386073
ethyl 2-[[2-[3-(methylsulfonylcarbamoyl)benzoyl]oxyacetyl]amino]-5-phenylthiophene-3-carboxylate
CID 171651811
ethyl 2-[(3,5-dimethoxybenzoyl)amino]-5-phenylthiophene-3-carboxylate
CID 1189333
ethyl 2-[[(2S)-2-methylpentanoyl]amino]-5-phenylthiophene-3-carboxylate
CID 92759942
ethyl 2-(cyclopentanecarbonylamino)-5-phenylthiophene-3-carboxylate
CID 841453
[2-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-2-oxoethyl] 6-(methanesulfonamido)pyridine-2-carboxylate
CID 171651861

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methoxyacetyl)amino]-5-phenylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(2-methoxyacetyl)amino]-5-phenylthiophene-3-carboxylate (CID 733295) is ethyl 2-[(2-methoxyacetyl)amino]-5-phenylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(2-methoxyacetyl)amino]-5-phenylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(2-methoxyacetyl)amino]-5-phenylthiophene-3-carboxylate is CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COC.
What is the InChIKey of ethyl 2-[(2-methoxyacetyl)amino]-5-phenylthiophene-3-carboxylate?
The InChIKey is REAZNNATVRIACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-3-21-16(19)12-9-13(11-7-5-4-6-8-11)22-15(12)17-14(18)10-20-2/h4-9H,3,10H2,1-2H3,(H,17,18).
What are the key properties of ethyl 2-[(2-methoxyacetyl)amino]-5-phenylthiophene-3-carboxylate?
ethyl 2-[(2-methoxyacetyl)amino]-5-phenylthiophene-3-carboxylate has a molecular weight of 319.38 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methoxyacetyl)amino]-5-phenylthiophene-3-carboxylate is sourced from PubChem (CID 733295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).