ethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate

C15H19NO4S — CID 1438948

IUPACethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2sc(C)cc2n1[C@@H](C)C(=O)OCC
InChIInChI=1S/C15H19NO4S/c1-5-19-14(17)10(4)16-11-7-9(3)21-13(11)8-12(16)15(18)20-6-2/h7-8,10H,5-6H2,1-4H3/t10-/m0/s1
InChIKeyZENVMJXTRMFQHI-JTQLQIEISA-N
MW309.39 g/mol
LogP3.31
Rot. Bonds5

About ethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate

ethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 1438948) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is ethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate
PubChem CID1438948
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Nameethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2sc(C)cc2n1[C@@H](C)C(=O)OCC
InChIInChI=1S/C15H19NO4S/c1-5-19-14(17)10(4)16-11-7-9(3)21-13(11)8-12(16)15(18)20-6-2/h7-8,10H,5-6H2,1-4H3/t10-/m0/s1
InChIKeyZENVMJXTRMFQHI-JTQLQIEISA-N
XLogP3.31
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate with MolForge

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Related Compounds

ethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]furo[3,2-b]pyrrole-5-carboxylate
CID 7436683
ethyl 2-methyl-4-phenacylthieno[3,2-b]pyrrole-5-carboxylate
CID 1438939
ethyl 4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate
CID 1438980
methyl 4-[1-(2,5-dimethylanilino)-1-oxobutan-2-yl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate
CID 20885723
ethyl 6-(1-hydroxyethyl)-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylate
CID 58386857
ethyl (2R)-2-(2-imino-1,3-benzothiazol-3-yl)propanoate
CID 129411918
ethyl 1-(difluoromethyl)indole-2-carboxylate
CID 56618852
ethyl 2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanoate
CID 64864135
ethyl 4-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxylate
CID 1438845
ethyl 4-prop-2-ynylthieno[3,2-b]pyrrole-5-carboxylate
CID 1438926
2-[3,5-bis(1-ethoxy-1-oxopropan-2-yl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoic acid
CID 139846070
ethyl 2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 63616724

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate (CID 1438948) is ethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2sc(C)cc2n1[C@@H](C)C(=O)OCC.
What is the InChIKey of ethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is ZENVMJXTRMFQHI-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19NO4S/c1-5-19-14(17)10(4)16-11-7-9(3)21-13(11)8-12(16)15(18)20-6-2/h7-8,10H,5-6H2,1-4H3/t10-/m0/s1.
What are the key properties of ethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate?
ethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 309.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 1438948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).