ethyl 2-methyl-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-5-carboxylate

C16H20N2O4S — CID 652825

IUPACethyl 2-methyl-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2sc(C)cc2n1CC(=O)N1CCOCC1
InChIInChI=1S/C16H20N2O4S/c1-3-22-16(20)13-9-14-12(8-11(2)23-14)18(13)10-15(19)17-4-6-21-7-5-17/h8-9H,3-7,10H2,1-2H3
InChIKeyZXHYKENARIKUMO-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.05
Rot. Bonds4

About ethyl 2-methyl-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-5-carboxylate

ethyl 2-methyl-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 652825) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is ethyl 2-methyl-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-5-carboxylate
PubChem CID652825
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Nameethyl 2-methyl-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2sc(C)cc2n1CC(=O)N1CCOCC1
InChIInChI=1S/C16H20N2O4S/c1-3-22-16(20)13-9-14-12(8-11(2)23-14)18(13)10-15(19)17-4-6-21-7-5-17/h8-9H,3-7,10H2,1-2H3
InChIKeyZXHYKENARIKUMO-UHFFFAOYSA-N
XLogP2.05
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 2-methyl-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-5-carboxylate (CID 652825) is ethyl 2-methyl-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 2-methyl-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2sc(C)cc2n1CC(=O)N1CCOCC1.
What is the InChIKey of ethyl 2-methyl-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is ZXHYKENARIKUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-3-22-16(20)13-9-14-12(8-11(2)23-14)18(13)10-15(19)17-4-6-21-7-5-17/h8-9H,3-7,10H2,1-2H3.
What are the key properties of ethyl 2-methyl-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-5-carboxylate?
ethyl 2-methyl-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 336.41 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 652825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).