methyl 6-[2-[benzyl(ethyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate

C19H20N2O3S — CID 20883428

IUPACmethyl 6-[2-[benzyl(ethyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
SMILESCCN(Cc1ccccc1)C(=O)Cn1c(C(=O)OC)cc2ccsc21
InChIInChI=1S/C19H20N2O3S/c1-3-20(12-14-7-5-4-6-8-14)17(22)13-21-16(19(23)24-2)11-15-9-10-25-18(15)21/h4-11H,3,12-13H2,1-2H3
InChIKeyMLFYBIDVTIQQOO-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.54
Rot. Bonds6

About methyl 6-[2-[benzyl(ethyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate

methyl 6-[2-[benzyl(ethyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate (PubChem CID 20883428) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is methyl 6-[2-[benzyl(ethyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-[benzyl(ethyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
PubChem CID20883428
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Namemethyl 6-[2-[benzyl(ethyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
SMILESCCN(Cc1ccccc1)C(=O)Cn1c(C(=O)OC)cc2ccsc21
InChIInChI=1S/C19H20N2O3S/c1-3-20(12-14-7-5-4-6-8-14)17(22)13-21-16(19(23)24-2)11-15-9-10-25-18(15)21/h4-11H,3,12-13H2,1-2H3
InChIKeyMLFYBIDVTIQQOO-UHFFFAOYSA-N
XLogP3.54
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-benzylthieno[2,3-b]pyrrole-5-carboxylate
CID 6625222
methyl 6-[2-oxo-2-(3-phenylpropylamino)ethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53024504
methyl 4-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 20883449
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
propan-2-yl 6-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 95055533
ethyl 6-[2-(2-benzoylanilino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53056601
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 112817041
2-(2-amino-4-ethyl-6-oxopyrimidin-1-yl)-N-benzyl-N-ethylacetamide
CID 53201643
methyl 6-[2-(2,5-difluoroanilino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53004760
ethyl 6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53032978
methyl 6-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53032952
6-[2-(4-methoxyphenyl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylic acid
CID 141357838

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-[benzyl(ethyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 6-[2-[benzyl(ethyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate (CID 20883428) is methyl 6-[2-[benzyl(ethyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 6-[2-[benzyl(ethyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 6-[2-[benzyl(ethyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate is CCN(Cc1ccccc1)C(=O)Cn1c(C(=O)OC)cc2ccsc21.
What is the InChIKey of methyl 6-[2-[benzyl(ethyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate?
The InChIKey is MLFYBIDVTIQQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-3-20(12-14-7-5-4-6-8-14)17(22)13-21-16(19(23)24-2)11-15-9-10-25-18(15)21/h4-11H,3,12-13H2,1-2H3.
What are the key properties of methyl 6-[2-[benzyl(ethyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate?
methyl 6-[2-[benzyl(ethyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate has a molecular weight of 356.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-[benzyl(ethyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate is sourced from PubChem (CID 20883428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).