methyl 6-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate

C17H22N2O3S — CID 3237232

IUPACmethyl 6-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
SMILESCCC1CCCCN1C(=O)Cn1c(C(=O)OC)cc2ccsc21
InChIInChI=1S/C17H22N2O3S/c1-3-13-6-4-5-8-18(13)15(20)11-19-14(17(21)22-2)10-12-7-9-23-16(12)19/h7,9-10,13H,3-6,8,11H2,1-2H3
InChIKeyZPWQKFGNNRGZLL-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.28
Rot. Bonds4

About methyl 6-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate

methyl 6-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate (PubChem CID 3237232) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is methyl 6-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
PubChem CID3237232
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Namemethyl 6-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
SMILESCCC1CCCCN1C(=O)Cn1c(C(=O)OC)cc2ccsc21
InChIInChI=1S/C17H22N2O3S/c1-3-13-6-4-5-8-18(13)15(20)11-19-14(17(21)22-2)10-12-7-9-23-16(12)19/h7,9-10,13H,3-6,8,11H2,1-2H3
InChIKeyZPWQKFGNNRGZLL-UHFFFAOYSA-N
XLogP3.28
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 6-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate with MolForge

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Related Compounds

methyl 4-{[ethyl(3-methylphenyl)carbamoyl]methyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate
CID 16011099
4-Benzyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 649131
4-[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl]-2-methyl-5-thieno[3,2-b]pyrrolecarboxylic acid ethyl ester
CID 645743
2-Methyl-4-[2-oxo-2-(2-phenylethylamino)ethyl]-5-thieno[3,2-b]pyrrolecarboxylic acid ethyl ester
CID 650749
4-[2-(2,3-Dihydro-indol-1-yl)-2-oxo-ethyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 651808
2-Methyl-4-(2-morpholin-4-yl-2-oxo-ethyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 652825
4-Diethylcarbamoylmethyl-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 1438943
Methyl 6-[2-(3,5-dimethylanilino)-2-oxoethyl]-6H-thieno[2,3-B]pyrrole-5-carboxylate
CID 3236451
Methyl 6-[2-[4-(dimethylamino)anilino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 3237921
methyl 6-(1-{[(2-methoxyphenyl)amino]carbonyl}propyl)-6H-thieno[2,3-b]pyrrole-5-carboxylate
CID 3240686
methyl 4-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-4H-thieno[3,2-b]pyrrole-5-carboxylate
CID 3242038
methyl 6-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-6H-thieno[2,3-b]pyrrole-5-carboxylate
CID 3244067

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 6-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate (CID 3237232) is methyl 6-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 6-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 6-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate is CCC1CCCCN1C(=O)Cn1c(C(=O)OC)cc2ccsc21.
What is the InChIKey of methyl 6-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate?
The InChIKey is ZPWQKFGNNRGZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-3-13-6-4-5-8-18(13)15(20)11-19-14(17(21)22-2)10-12-7-9-23-16(12)19/h7,9-10,13H,3-6,8,11H2,1-2H3.
What are the key properties of methyl 6-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate?
methyl 6-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate has a molecular weight of 334.44 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate is sourced from PubChem (CID 3237232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).