ethyl 4-(2-oxo-2-propan-2-yloxyethyl)thieno[3,2-b]pyrrole-5-carboxylate

C14H17NO4S — CID 646834

IUPACethyl 4-(2-oxo-2-propan-2-yloxyethyl)thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2sccc2n1CC(=O)OC(C)C
InChIInChI=1S/C14H17NO4S/c1-4-18-14(17)11-7-12-10(5-6-20-12)15(11)8-13(16)19-9(2)3/h5-7,9H,4,8H2,1-3H3
InChIKeyHOFCGDHWXRNDSR-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.83
Rot. Bonds5

About ethyl 4-(2-oxo-2-propan-2-yloxyethyl)thieno[3,2-b]pyrrole-5-carboxylate

ethyl 4-(2-oxo-2-propan-2-yloxyethyl)thieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 646834) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is ethyl 4-(2-oxo-2-propan-2-yloxyethyl)thieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-oxo-2-propan-2-yloxyethyl)thieno[3,2-b]pyrrole-5-carboxylate
PubChem CID646834
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Nameethyl 4-(2-oxo-2-propan-2-yloxyethyl)thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2sccc2n1CC(=O)OC(C)C
InChIInChI=1S/C14H17NO4S/c1-4-18-14(17)11-7-12-10(5-6-20-12)15(11)8-13(16)19-9(2)3/h5-7,9H,4,8H2,1-3H3
InChIKeyHOFCGDHWXRNDSR-UHFFFAOYSA-N
XLogP2.83
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-oxo-2-propan-2-yloxyethyl)thieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 4-(2-oxo-2-propan-2-yloxyethyl)thieno[3,2-b]pyrrole-5-carboxylate (CID 646834) is ethyl 4-(2-oxo-2-propan-2-yloxyethyl)thieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 4-(2-oxo-2-propan-2-yloxyethyl)thieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 4-(2-oxo-2-propan-2-yloxyethyl)thieno[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2sccc2n1CC(=O)OC(C)C.
What is the InChIKey of ethyl 4-(2-oxo-2-propan-2-yloxyethyl)thieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is HOFCGDHWXRNDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-4-18-14(17)11-7-12-10(5-6-20-12)15(11)8-13(16)19-9(2)3/h5-7,9H,4,8H2,1-3H3.
What are the key properties of ethyl 4-(2-oxo-2-propan-2-yloxyethyl)thieno[3,2-b]pyrrole-5-carboxylate?
ethyl 4-(2-oxo-2-propan-2-yloxyethyl)thieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 295.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-oxo-2-propan-2-yloxyethyl)thieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 646834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).