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

C19H20N2O4S — CID 20883260

IUPACmethyl 4-[1-(2-methoxyanilino)-1-oxobutan-2-yl]thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCC(C(=O)Nc1ccccc1OC)n1c(C(=O)OC)cc2sccc21
InChIInChI=1S/C19H20N2O4S/c1-4-13(18(22)20-12-7-5-6-8-16(12)24-2)21-14-9-10-26-17(14)11-15(21)19(23)25-3/h5-11,13H,4H2,1-3H3,(H,20,22)
InChIKeySGSXHVHQSHMBHG-UHFFFAOYSA-N
MW372.45 g/mol
LogP4.09
Rot. Bonds6

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

methyl 4-[1-(2-methoxyanilino)-1-oxobutan-2-yl]thieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 20883260) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is methyl 4-[1-(2-methoxyanilino)-1-oxobutan-2-yl]thieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[1-(2-methoxyanilino)-1-oxobutan-2-yl]thieno[3,2-b]pyrrole-5-carboxylate
PubChem CID20883260
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Namemethyl 4-[1-(2-methoxyanilino)-1-oxobutan-2-yl]thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCC(C(=O)Nc1ccccc1OC)n1c(C(=O)OC)cc2sccc21
InChIInChI=1S/C19H20N2O4S/c1-4-13(18(22)20-12-7-5-6-8-16(12)24-2)21-14-9-10-26-17(14)11-15(21)19(23)25-3/h5-11,13H,4H2,1-3H3,(H,20,22)
InChIKeySGSXHVHQSHMBHG-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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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-(2-ethylanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 20883253
(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
(2S)-2-bromo-N-(2-methoxyphenyl)butanamide
CID 40932699
methyl 2-ethyl-4-[2-(2-methoxyanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 20883357
(2S)-2-ethyl-N-(2-methoxyphenyl)-3-oxobutanamide
CID 868013
1-butan-2-yl-3-(2-methoxyphenyl)urea
CID 19167871
1-(2-methoxyphenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)urea
CID 100561516
(2R)-2-bromo-N-(2-methoxyphenyl)propanamide
CID 737002
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
N-(2-methoxyphenyl)-2-propylpentanamide
CID 2995533
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] propanoate
CID 7851261

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(2-methoxyanilino)-1-oxobutan-2-yl]thieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 4-[1-(2-methoxyanilino)-1-oxobutan-2-yl]thieno[3,2-b]pyrrole-5-carboxylate (CID 20883260) is methyl 4-[1-(2-methoxyanilino)-1-oxobutan-2-yl]thieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 4-[1-(2-methoxyanilino)-1-oxobutan-2-yl]thieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 4-[1-(2-methoxyanilino)-1-oxobutan-2-yl]thieno[3,2-b]pyrrole-5-carboxylate is CCC(C(=O)Nc1ccccc1OC)n1c(C(=O)OC)cc2sccc21.
What is the InChIKey of methyl 4-[1-(2-methoxyanilino)-1-oxobutan-2-yl]thieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is SGSXHVHQSHMBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-4-13(18(22)20-12-7-5-6-8-16(12)24-2)21-14-9-10-26-17(14)11-15(21)19(23)25-3/h5-11,13H,4H2,1-3H3,(H,20,22).
What are the key properties of methyl 4-[1-(2-methoxyanilino)-1-oxobutan-2-yl]thieno[3,2-b]pyrrole-5-carboxylate?
methyl 4-[1-(2-methoxyanilino)-1-oxobutan-2-yl]thieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 372.45 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(2-methoxyanilino)-1-oxobutan-2-yl]thieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 20883260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).