methyl 6-benzylthieno[2,3-b]pyrrole-5-carboxylate

C15H13NO2S — CID 6625222

IUPACmethyl 6-benzylthieno[2,3-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2ccsc2n1Cc1ccccc1
InChIInChI=1S/C15H13NO2S/c1-18-15(17)13-9-12-7-8-19-14(12)16(13)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyJRCYEELKOYOMOK-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.54
Rot. Bonds3

About methyl 6-benzylthieno[2,3-b]pyrrole-5-carboxylate

methyl 6-benzylthieno[2,3-b]pyrrole-5-carboxylate (PubChem CID 6625222) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is methyl 6-benzylthieno[2,3-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-benzylthieno[2,3-b]pyrrole-5-carboxylate
PubChem CID6625222
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Namemethyl 6-benzylthieno[2,3-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2ccsc2n1Cc1ccccc1
InChIInChI=1S/C15H13NO2S/c1-18-15(17)13-9-12-7-8-19-14(12)16(13)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyJRCYEELKOYOMOK-UHFFFAOYSA-N
XLogP3.54
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-[2-[benzyl(ethyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 20883428
methyl 6-[2-oxo-2-(3-phenylpropylamino)ethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53024504
methyl 6-[2-(2-methoxycarbonylanilino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53024496
ethyl 6-[(4-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 6487721
6-[(3-methoxyphenyl)methyl]-N-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carboxamide
CID 93116816
methyl 6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53024505
6-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide
CID 4131807
methyl 6-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 20883426
dimethyl 1-benzyl-5-methylpyrrole-2,4-dicarboxylate
CID 11818528
propan-2-yl 6-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 95055533
methyl 4-acetyl-1-benzyl-5-methylpyrrole-2-carboxylate
CID 12027879
N-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide
CID 42797272

Frequently Asked Questions

What is the IUPAC name of methyl 6-benzylthieno[2,3-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 6-benzylthieno[2,3-b]pyrrole-5-carboxylate (CID 6625222) is methyl 6-benzylthieno[2,3-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 6-benzylthieno[2,3-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 6-benzylthieno[2,3-b]pyrrole-5-carboxylate is COC(=O)c1cc2ccsc2n1Cc1ccccc1.
What is the InChIKey of methyl 6-benzylthieno[2,3-b]pyrrole-5-carboxylate?
The InChIKey is JRCYEELKOYOMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-18-15(17)13-9-12-7-8-19-14(12)16(13)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3.
What are the key properties of methyl 6-benzylthieno[2,3-b]pyrrole-5-carboxylate?
methyl 6-benzylthieno[2,3-b]pyrrole-5-carboxylate has a molecular weight of 271.34 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-benzylthieno[2,3-b]pyrrole-5-carboxylate is sourced from PubChem (CID 6625222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).