methyl (2R)-4-(5,6-dimethoxythieno[3,2-b]pyridin-2-yl)-2-ethyl-4-oxobutanoate

C16H19NO5S — CID 155479257

IUPACmethyl (2R)-4-(5,6-dimethoxythieno[3,2-b]pyridin-2-yl)-2-ethyl-4-oxobutanoate
SMILESCC[C@H](CC(=O)c1cc2nc(OC)c(OC)cc2s1)C(=O)OC
InChIInChI=1S/C16H19NO5S/c1-5-9(16(19)22-4)6-11(18)14-7-10-13(23-14)8-12(20-2)15(17-10)21-3/h7-9H,5-6H2,1-4H3/t9-/m1/s1
InChIKeyORUDWGCICTZWLY-SECBINFHSA-N
MW337.40 g/mol
LogP3.09
Rot. Bonds7

About methyl (2R)-4-(5,6-dimethoxythieno[3,2-b]pyridin-2-yl)-2-ethyl-4-oxobutanoate

methyl (2R)-4-(5,6-dimethoxythieno[3,2-b]pyridin-2-yl)-2-ethyl-4-oxobutanoate (PubChem CID 155479257) has the molecular formula C16H19NO5S and a molecular weight of 337.40 g/mol. Its IUPAC name is methyl (2R)-4-(5,6-dimethoxythieno[3,2-b]pyridin-2-yl)-2-ethyl-4-oxobutanoate.

Molecular Properties

Compound Namemethyl (2R)-4-(5,6-dimethoxythieno[3,2-b]pyridin-2-yl)-2-ethyl-4-oxobutanoate
PubChem CID155479257
Molecular FormulaC16H19NO5S
Molecular Weight337.40 g/mol
Exact Mass337.10
IUPAC Namemethyl (2R)-4-(5,6-dimethoxythieno[3,2-b]pyridin-2-yl)-2-ethyl-4-oxobutanoate
SMILESCC[C@H](CC(=O)c1cc2nc(OC)c(OC)cc2s1)C(=O)OC
InChIInChI=1S/C16H19NO5S/c1-5-9(16(19)22-4)6-11(18)14-7-10-13(23-14)8-12(20-2)15(17-10)21-3/h7-9H,5-6H2,1-4H3/t9-/m1/s1
InChIKeyORUDWGCICTZWLY-SECBINFHSA-N
XLogP3.09
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-[2-(5,6-dimethoxythieno[3,2-b]pyridin-2-yl)-2-oxoethyl]pentanoic acid
CID 139575689
(3R)-1-(5,6-dimethoxythieno[3,2-b]pyridin-2-yl)-3-methylpentane-1,4-dione
CID 157162409
4-O-tert-butyl 1-O-methyl 3-(5,6-dimethoxythieno[3,2-b]pyridine-2-carbonyl)-2-propylbutanedioate;methyl 2-[2-(5,6-dimethoxythieno[3,2-b]pyridin-2-yl)-2-oxoethyl]pentanoate
CID 157414505
methyl (2S)-4-(6-bromo-5-methoxythieno[3,2-b]pyridin-2-yl)-2-methyl-4-oxobutanoate
CID 139532066
methyl 2-[2-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-oxoethyl]pentanoate
CID 134392012
1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-ethylpentane-1,4-dione
CID 134391878
(2S)-4-[5-[3-[2-[(3S)-3-carboxybutanoyl]-5-methoxythieno[3,2-b]pyridin-6-yl]oxypropoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid
CID 139532033
methyl (2S)-4-[5-(1-hydroxypropyl)-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoate
CID 175077126
(2S)-4-[6-methoxy-5-[3-[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]thieno[3,2-b]pyridin-5-yl]oxypropoxy]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid
CID 158974699
dicesium;tert-butyl 3-(5,6-dimethoxythieno[3,2-b]pyridin-2-yl)-3-oxopropanoate;4-O-tert-butyl 1-O-methyl 3-(5,6-dimethoxythieno[3,2-b]pyridine-2-carbonyl)-2-propylbutanedioate;hydride;methyl 2-bromopentanoate;oxido formate
CID 161413984
(2R)-4-(2,3-dimethoxythieno[2,3-b]pyrazin-6-yl)-2-methyl-4-oxobutanoic acid
CID 175918736
(2S)-4-[5-[3-[2-(3-carboxypropanoyl)-6-methoxythieno[3,2-b]pyridin-5-yl]oxypropoxy]-4-fluoro-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid
CID 139531939

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-4-(5,6-dimethoxythieno[3,2-b]pyridin-2-yl)-2-ethyl-4-oxobutanoate?
The IUPAC name of methyl (2R)-4-(5,6-dimethoxythieno[3,2-b]pyridin-2-yl)-2-ethyl-4-oxobutanoate (CID 155479257) is methyl (2R)-4-(5,6-dimethoxythieno[3,2-b]pyridin-2-yl)-2-ethyl-4-oxobutanoate.
What is the SMILES notation for methyl (2R)-4-(5,6-dimethoxythieno[3,2-b]pyridin-2-yl)-2-ethyl-4-oxobutanoate?
The canonical SMILES for methyl (2R)-4-(5,6-dimethoxythieno[3,2-b]pyridin-2-yl)-2-ethyl-4-oxobutanoate is CC[C@H](CC(=O)c1cc2nc(OC)c(OC)cc2s1)C(=O)OC.
What is the InChIKey of methyl (2R)-4-(5,6-dimethoxythieno[3,2-b]pyridin-2-yl)-2-ethyl-4-oxobutanoate?
The InChIKey is ORUDWGCICTZWLY-SECBINFHSA-N. The full InChI is InChI=1S/C16H19NO5S/c1-5-9(16(19)22-4)6-11(18)14-7-10-13(23-14)8-12(20-2)15(17-10)21-3/h7-9H,5-6H2,1-4H3/t9-/m1/s1.
What are the key properties of methyl (2R)-4-(5,6-dimethoxythieno[3,2-b]pyridin-2-yl)-2-ethyl-4-oxobutanoate?
methyl (2R)-4-(5,6-dimethoxythieno[3,2-b]pyridin-2-yl)-2-ethyl-4-oxobutanoate has a molecular weight of 337.40 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-4-(5,6-dimethoxythieno[3,2-b]pyridin-2-yl)-2-ethyl-4-oxobutanoate is sourced from PubChem (CID 155479257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).