methyl 4-[1-(2-ethylanilino)-1-oxobutan-2-yl]thieno[3,2-b]pyrrole-5-carboxylate

C20H22N2O3S — CID 20883410

IUPACmethyl 4-[1-(2-ethylanilino)-1-oxobutan-2-yl]thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCc1ccccc1NC(=O)C(CC)n1c(C(=O)OC)cc2sccc21
InChIInChI=1S/C20H22N2O3S/c1-4-13-8-6-7-9-14(13)21-19(23)15(5-2)22-16-10-11-26-18(16)12-17(22)20(24)25-3/h6-12,15H,4-5H2,1-3H3,(H,21,23)
InChIKeyQZPOXPAKDBZFSI-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.64
Rot. Bonds6

About methyl 4-[1-(2-ethylanilino)-1-oxobutan-2-yl]thieno[3,2-b]pyrrole-5-carboxylate

methyl 4-[1-(2-ethylanilino)-1-oxobutan-2-yl]thieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 20883410) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is methyl 4-[1-(2-ethylanilino)-1-oxobutan-2-yl]thieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[1-(2-ethylanilino)-1-oxobutan-2-yl]thieno[3,2-b]pyrrole-5-carboxylate
PubChem CID20883410
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Namemethyl 4-[1-(2-ethylanilino)-1-oxobutan-2-yl]thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCc1ccccc1NC(=O)C(CC)n1c(C(=O)OC)cc2sccc21
InChIInChI=1S/C20H22N2O3S/c1-4-13-8-6-7-9-14(13)21-19(23)15(5-2)22-16-10-11-26-18(16)12-17(22)20(24)25-3/h6-12,15H,4-5H2,1-3H3,(H,21,23)
InChIKeyQZPOXPAKDBZFSI-UHFFFAOYSA-N
XLogP4.64
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[1-(2-ethylanilino)-1-oxobutan-2-yl]thieno[3,2-b]pyrrole-5-carboxylate with MolForge

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Related Compounds

methyl 4-[1-(2-methoxyanilino)-1-oxobutan-2-yl]thieno[3,2-b]pyrrole-5-carboxylate
CID 20883260
methyl 4-[2-(2-ethylanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 20883253
N-(2-ethylphenyl)-2-methylbutanamide
CID 3140517
N-[3-(methoxymethyl)-2-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 145027417
2-amino-N-(2-ethylphenyl)-3-methylpentanamide
CID 24700876
(2R)-2-[(12-ethyl-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaen-9-yl)sulfanyl]-N-(2-methoxyphenyl)butanamide
CID 92686885
2-[2-(2-methoxybutanoylamino)phenyl]acetic acid
CID 119353171
methyl 4-[2-(4-methoxyanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 20883403
2-[2-(2-butoxypropanoylamino)phenyl]acetic acid
CID 119218365
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)-4-methylpentanamide
CID 7067644
methyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate
CID 4108556
N-[(2-chlorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225317

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(2-ethylanilino)-1-oxobutan-2-yl]thieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 4-[1-(2-ethylanilino)-1-oxobutan-2-yl]thieno[3,2-b]pyrrole-5-carboxylate (CID 20883410) is methyl 4-[1-(2-ethylanilino)-1-oxobutan-2-yl]thieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 4-[1-(2-ethylanilino)-1-oxobutan-2-yl]thieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 4-[1-(2-ethylanilino)-1-oxobutan-2-yl]thieno[3,2-b]pyrrole-5-carboxylate is CCc1ccccc1NC(=O)C(CC)n1c(C(=O)OC)cc2sccc21.
What is the InChIKey of methyl 4-[1-(2-ethylanilino)-1-oxobutan-2-yl]thieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is QZPOXPAKDBZFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-4-13-8-6-7-9-14(13)21-19(23)15(5-2)22-16-10-11-26-18(16)12-17(22)20(24)25-3/h6-12,15H,4-5H2,1-3H3,(H,21,23).
What are the key properties of methyl 4-[1-(2-ethylanilino)-1-oxobutan-2-yl]thieno[3,2-b]pyrrole-5-carboxylate?
methyl 4-[1-(2-ethylanilino)-1-oxobutan-2-yl]thieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 370.47 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(2-ethylanilino)-1-oxobutan-2-yl]thieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 20883410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).