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

C19H20N2O4S — CID 20883357

IUPACmethyl 2-ethyl-4-[2-(2-methoxyanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCc1cc2c(cc(C(=O)OC)n2CC(=O)Nc2ccccc2OC)s1
InChIInChI=1S/C19H20N2O4S/c1-4-12-9-14-17(26-12)10-15(19(23)25-3)21(14)11-18(22)20-13-7-5-6-8-16(13)24-2/h5-10H,4,11H2,1-3H3,(H,20,22)
InChIKeyASHBIEXQGPMPIF-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.70
Rot. Bonds6

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

methyl 2-ethyl-4-[2-(2-methoxyanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 20883357) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is methyl 2-ethyl-4-[2-(2-methoxyanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-4-[2-(2-methoxyanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
PubChem CID20883357
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Namemethyl 2-ethyl-4-[2-(2-methoxyanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCc1cc2c(cc(C(=O)OC)n2CC(=O)Nc2ccccc2OC)s1
InChIInChI=1S/C19H20N2O4S/c1-4-12-9-14-17(26-12)10-15(19(23)25-3)21(14)11-18(22)20-13-7-5-6-8-16(13)24-2/h5-10H,4,11H2,1-3H3,(H,20,22)
InChIKeyASHBIEXQGPMPIF-UHFFFAOYSA-N
XLogP3.70
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[2-(2-ethylanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 20883253
methyl 4-[(2-chlorophenyl)methyl]-2-ethylthieno[3,2-b]pyrrole-5-carboxylate
CID 20883381
N-(2-methoxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 1081529
methyl 4-[2-(2,4-difluoroanilino)-2-oxoethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate
CID 20883323
2-(2-ethylbenzimidazol-1-yl)-N-(2-methoxyphenyl)acetamide
CID 5023490
2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-(2-methoxyphenyl)acetamide
CID 3432119
2-[3-(4-ethylphenyl)-2,4-dioxo-[1]benzothiolo[3,2-d]pyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 20875532
methyl 4-[1-(2-methoxyanilino)-1-oxobutan-2-yl]thieno[3,2-b]pyrrole-5-carboxylate
CID 20883260
N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9436558
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 121064425
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methoxyphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-4-[2-(2-methoxyanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 2-ethyl-4-[2-(2-methoxyanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate (CID 20883357) is methyl 2-ethyl-4-[2-(2-methoxyanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 2-ethyl-4-[2-(2-methoxyanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 2-ethyl-4-[2-(2-methoxyanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate is CCc1cc2c(cc(C(=O)OC)n2CC(=O)Nc2ccccc2OC)s1.
What is the InChIKey of methyl 2-ethyl-4-[2-(2-methoxyanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is ASHBIEXQGPMPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-4-12-9-14-17(26-12)10-15(19(23)25-3)21(14)11-18(22)20-13-7-5-6-8-16(13)24-2/h5-10H,4,11H2,1-3H3,(H,20,22).
What are the key properties of methyl 2-ethyl-4-[2-(2-methoxyanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate?
methyl 2-ethyl-4-[2-(2-methoxyanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 372.45 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-4-[2-(2-methoxyanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 20883357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).