ethyl 2-benzoyl-1-methoxy-6-methylthieno[2,3-b]indolizine-4-carboxylate

C22H19NO4S — CID 14709016

IUPACethyl 2-benzoyl-1-methoxy-6-methylthieno[2,3-b]indolizine-4-carboxylate
SMILESCCOC(=O)c1c2sc(C(=O)c3ccccc3)c(OC)c2n2ccc(C)cc12
InChIInChI=1S/C22H19NO4S/c1-4-27-22(25)16-15-12-13(2)10-11-23(15)17-19(26-3)21(28-20(16)17)18(24)14-8-6-5-7-9-14/h5-12H,4H2,1-3H3
InChIKeyQLLJFWZGJPUTFI-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.88
Rot. Bonds5

About ethyl 2-benzoyl-1-methoxy-6-methylthieno[2,3-b]indolizine-4-carboxylate

ethyl 2-benzoyl-1-methoxy-6-methylthieno[2,3-b]indolizine-4-carboxylate (PubChem CID 14709016) has the molecular formula C22H19NO4S and a molecular weight of 393.46 g/mol. Its IUPAC name is ethyl 2-benzoyl-1-methoxy-6-methylthieno[2,3-b]indolizine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-benzoyl-1-methoxy-6-methylthieno[2,3-b]indolizine-4-carboxylate
PubChem CID14709016
Molecular FormulaC22H19NO4S
Molecular Weight393.46 g/mol
Exact Mass393.10
IUPAC Nameethyl 2-benzoyl-1-methoxy-6-methylthieno[2,3-b]indolizine-4-carboxylate
SMILESCCOC(=O)c1c2sc(C(=O)c3ccccc3)c(OC)c2n2ccc(C)cc12
InChIInChI=1S/C22H19NO4S/c1-4-27-22(25)16-15-12-13(2)10-11-23(15)17-19(26-3)21(28-20(16)17)18(24)14-8-6-5-7-9-14/h5-12H,4H2,1-3H3
InChIKeyQLLJFWZGJPUTFI-UHFFFAOYSA-N
XLogP4.88
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-benzoyl-6-methyl-1-prop-2-enylsulfanylthieno[3,4-b]indolizine-4-carboxylate
CID 11532170
potassium 3-(4-chlorobenzoyl)-4-ethoxycarbonyl-6-methylthieno[3,4-b]indolizine-1-thiolate
CID 23672190
diethyl 7-methyl-2-phenacylsulfanylindolizine-1,3-dicarboxylate
CID 14708955
ethyl 2-amino-5-benzoyl-4-methylthiophene-3-carboxylate
CID 53364230
diethyl 4,5-dibenzoyl-7-sulfanylidenethieno[2,3-c]thiopyran-2,3-dicarboxylate
CID 11387087
ethyl 1-methoxy-2-(2-nitrophenyl)thieno[2,3-b]indolizine-4-carboxylate
CID 14709023
ethyl 1-benzhydrylsulfanyl-3-benzoylthieno[3,4-b]indolizine-4-carboxylate
CID 11146028
ethyl 7-benzoyl-3-(3-methoxybenzoyl)indolizine-1-carboxylate
CID 4052671
ethyl 3-(4-bromobenzoyl)-1-but-2-ynylsulfanyl-6-methylthieno[3,4-b]indolizine-4-carboxylate
CID 11591788
diethyl 2-[2-[1,3-bis(ethoxycarbonyl)-7-methylindolizin-2-yl]sulfanylethylsulfanyl]-7-methylindolizine-1,3-dicarboxylate
CID 11006762
ethyl 1-benzoyl-7-methyl-2-phenylpyrrolo[1,2-a]quinoline-3-carboxylate
CID 132596236
ethyl 3-benzoyl-1-[(2-methylphenyl)methylsulfanyl]thieno[3,4-b]indolizine-4-carboxylate
CID 10917890

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzoyl-1-methoxy-6-methylthieno[2,3-b]indolizine-4-carboxylate?
The IUPAC name of ethyl 2-benzoyl-1-methoxy-6-methylthieno[2,3-b]indolizine-4-carboxylate (CID 14709016) is ethyl 2-benzoyl-1-methoxy-6-methylthieno[2,3-b]indolizine-4-carboxylate.
What is the SMILES notation for ethyl 2-benzoyl-1-methoxy-6-methylthieno[2,3-b]indolizine-4-carboxylate?
The canonical SMILES for ethyl 2-benzoyl-1-methoxy-6-methylthieno[2,3-b]indolizine-4-carboxylate is CCOC(=O)c1c2sc(C(=O)c3ccccc3)c(OC)c2n2ccc(C)cc12.
What is the InChIKey of ethyl 2-benzoyl-1-methoxy-6-methylthieno[2,3-b]indolizine-4-carboxylate?
The InChIKey is QLLJFWZGJPUTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4S/c1-4-27-22(25)16-15-12-13(2)10-11-23(15)17-19(26-3)21(28-20(16)17)18(24)14-8-6-5-7-9-14/h5-12H,4H2,1-3H3.
What are the key properties of ethyl 2-benzoyl-1-methoxy-6-methylthieno[2,3-b]indolizine-4-carboxylate?
ethyl 2-benzoyl-1-methoxy-6-methylthieno[2,3-b]indolizine-4-carboxylate has a molecular weight of 393.46 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzoyl-1-methoxy-6-methylthieno[2,3-b]indolizine-4-carboxylate is sourced from PubChem (CID 14709016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).