methyl 6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate

C18H18N2O4S — CID 53024505

IUPACmethyl 6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2ccsc2n1CC(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C18H18N2O4S/c1-23-14-5-3-12(4-6-14)10-19-16(21)11-20-15(18(22)24-2)9-13-7-8-25-17(13)20/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeySPONCNKDCYFGAB-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.81
Rot. Bonds6

About methyl 6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate

methyl 6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate (PubChem CID 53024505) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is methyl 6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
PubChem CID53024505
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Namemethyl 6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2ccsc2n1CC(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C18H18N2O4S/c1-23-14-5-3-12(4-6-14)10-19-16(21)11-20-15(18(22)24-2)9-13-7-8-25-17(13)20/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeySPONCNKDCYFGAB-UHFFFAOYSA-N
XLogP2.81
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate with MolForge

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Related Compounds

methyl 6-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53032952
propan-2-yl 6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53032922
N-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide
CID 42797272
methyl 6-benzylthieno[2,3-b]pyrrole-5-carboxylate
CID 6625222
methyl 6-[2-(2-methoxycarbonylanilino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53024496
6-[2-(4-methoxyphenyl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylic acid
CID 141357838
ethyl 6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53032978
methyl 4-[2-(4-methoxyanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 20883403
methyl 6-[2-[benzyl(ethyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 20883428
2-indol-1-yl-N-[(4-methoxyphenyl)methyl]acetamide
CID 4224442
N-[(4-methoxyphenyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 26550291
2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[[4-(4-methoxyphenyl)phenyl]methyl]acetamide
CID 154862308

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate (CID 53024505) is methyl 6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate is COC(=O)c1cc2ccsc2n1CC(=O)NCc1ccc(OC)cc1.
What is the InChIKey of methyl 6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate?
The InChIKey is SPONCNKDCYFGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-23-14-5-3-12(4-6-14)10-19-16(21)11-20-15(18(22)24-2)9-13-7-8-25-17(13)20/h3-9H,10-11H2,1-2H3,(H,19,21).
What are the key properties of methyl 6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate?
methyl 6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate has a molecular weight of 358.42 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate is sourced from PubChem (CID 53024505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).