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

C24H20N2O4S — CID 53056601

IUPACethyl 6-[2-(2-benzoylanilino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2ccsc2n1CC(=O)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C24H20N2O4S/c1-2-30-24(29)20-14-17-12-13-31-23(17)26(20)15-21(27)25-19-11-7-6-10-18(19)22(28)16-8-4-3-5-9-16/h3-14H,2,15H2,1H3,(H,25,27)
InChIKeyMOYLGAMUUZZPEB-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.75
Rot. Bonds7

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

ethyl 6-[2-(2-benzoylanilino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate (PubChem CID 53056601) has the molecular formula C24H20N2O4S and a molecular weight of 432.50 g/mol. Its IUPAC name is ethyl 6-[2-(2-benzoylanilino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-[2-(2-benzoylanilino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
PubChem CID53056601
Molecular FormulaC24H20N2O4S
Molecular Weight432.50 g/mol
Exact Mass432.11
IUPAC Nameethyl 6-[2-(2-benzoylanilino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2ccsc2n1CC(=O)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C24H20N2O4S/c1-2-30-24(29)20-14-17-12-13-31-23(17)26(20)15-21(27)25-19-11-7-6-10-18(19)22(28)16-8-4-3-5-9-16/h3-14H,2,15H2,1H3,(H,25,27)
InChIKeyMOYLGAMUUZZPEB-UHFFFAOYSA-N
XLogP4.75
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 6-[2-(2-benzoylanilino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-[2-(2-methoxycarbonylanilino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53024496
ethyl 6-[2-(4-chloroanilino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53004727
ethyl 6-[2-(3-chloroanilino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53024486
ethyl 6-ethylthieno[2,3-b]pyrrole-5-carboxylate
CID 118918143
ethyl 6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53032978
ethyl 6-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53056603
ethyl 6-methylthieno[2,3-b]pyrrole-5-carboxylate
CID 118913719
methyl 6-[2-(2,4-difluoroanilino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53032927
methyl 6-[2-(2,5-difluoroanilino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53004760
ethyl 6-[2-[(5-bromo-2-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53032888
ethyl 4-[(2-benzoylphenyl)carbamoylamino]benzoate
CID 46859858
methyl 6-benzylthieno[2,3-b]pyrrole-5-carboxylate
CID 6625222

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-(2-benzoylanilino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 6-[2-(2-benzoylanilino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate (CID 53056601) is ethyl 6-[2-(2-benzoylanilino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 6-[2-(2-benzoylanilino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 6-[2-(2-benzoylanilino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2ccsc2n1CC(=O)Nc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of ethyl 6-[2-(2-benzoylanilino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate?
The InChIKey is MOYLGAMUUZZPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4S/c1-2-30-24(29)20-14-17-12-13-31-23(17)26(20)15-21(27)25-19-11-7-6-10-18(19)22(28)16-8-4-3-5-9-16/h3-14H,2,15H2,1H3,(H,25,27).
What are the key properties of ethyl 6-[2-(2-benzoylanilino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate?
ethyl 6-[2-(2-benzoylanilino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate has a molecular weight of 432.50 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-(2-benzoylanilino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate is sourced from PubChem (CID 53056601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).