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

C18H18N2O3S — CID 20883253

IUPACmethyl 4-[2-(2-ethylanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCc1ccccc1NC(=O)Cn1c(C(=O)OC)cc2sccc21
InChIInChI=1S/C18H18N2O3S/c1-3-12-6-4-5-7-13(12)19-17(21)11-20-14-8-9-24-16(14)10-15(20)18(22)23-2/h4-10H,3,11H2,1-2H3,(H,19,21)
InChIKeyMZTSPODTNQIFIT-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.69
Rot. Bonds5

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

methyl 4-[2-(2-ethylanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 20883253) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is methyl 4-[2-(2-ethylanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(2-ethylanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
PubChem CID20883253
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Namemethyl 4-[2-(2-ethylanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCc1ccccc1NC(=O)Cn1c(C(=O)OC)cc2sccc21
InChIInChI=1S/C18H18N2O3S/c1-3-12-6-4-5-7-13(12)19-17(21)11-20-14-8-9-24-16(14)10-15(20)18(22)23-2/h4-10H,3,11H2,1-2H3,(H,19,21)
InChIKeyMZTSPODTNQIFIT-UHFFFAOYSA-N
XLogP3.69
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[1-(2-ethylanilino)-1-oxobutan-2-yl]thieno[3,2-b]pyrrole-5-carboxylate
CID 20883410
methyl 4-[2-(4-methoxyanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 20883403
methyl 2-ethyl-4-[2-(2-methoxyanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 20883357
methyl 6-[2-(2-methoxycarbonylanilino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53024496
ethyl 4-[2-(dimethylamino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 1438924
2-[3-[(3,4-dimethylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 46923078
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N-[3-(methoxymethyl)-2-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 145027417
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-ethylphenyl)acetamide
CID 4789521
methyl 6-[2-(2,5-difluoroanilino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53004760
2-[2-amino-4-(methoxymethyl)-6-oxopyrimidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 53201791

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2-ethylanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 4-[2-(2-ethylanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate (CID 20883253) is methyl 4-[2-(2-ethylanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 4-[2-(2-ethylanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 4-[2-(2-ethylanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate is CCc1ccccc1NC(=O)Cn1c(C(=O)OC)cc2sccc21.
What is the InChIKey of methyl 4-[2-(2-ethylanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is MZTSPODTNQIFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-3-12-6-4-5-7-13(12)19-17(21)11-20-14-8-9-24-16(14)10-15(20)18(22)23-2/h4-10H,3,11H2,1-2H3,(H,19,21).
What are the key properties of methyl 4-[2-(2-ethylanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate?
methyl 4-[2-(2-ethylanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 342.42 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2-ethylanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 20883253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).