N,4-dibenzyl-N-(2-hydroxyethyl)thieno[3,2-b]pyrrole-5-carboxamide

C23H22N2O2S — CID 51048620

IUPACN,4-dibenzyl-N-(2-hydroxyethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(c1cc2sccc2n1Cc1ccccc1)N(CCO)Cc1ccccc1
InChIInChI=1S/C23H22N2O2S/c26-13-12-24(16-18-7-3-1-4-8-18)23(27)21-15-22-20(11-14-28-22)25(21)17-19-9-5-2-6-10-19/h1-11,14-15,26H,12-13,16-17H2
InChIKeyOTYIFNSHOQJJAO-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.39
Rot. Bonds7

About N,4-dibenzyl-N-(2-hydroxyethyl)thieno[3,2-b]pyrrole-5-carboxamide

N,4-dibenzyl-N-(2-hydroxyethyl)thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 51048620) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is N,4-dibenzyl-N-(2-hydroxyethyl)thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN,4-dibenzyl-N-(2-hydroxyethyl)thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID51048620
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC NameN,4-dibenzyl-N-(2-hydroxyethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(c1cc2sccc2n1Cc1ccccc1)N(CCO)Cc1ccccc1
InChIInChI=1S/C23H22N2O2S/c26-13-12-24(16-18-7-3-1-4-8-18)23(27)21-15-22-20(11-14-28-22)25(21)17-19-9-5-2-6-10-19/h1-11,14-15,26H,12-13,16-17H2
InChIKeyOTYIFNSHOQJJAO-UHFFFAOYSA-N
XLogP4.39
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dibenzyl-N-(2-hydroxyethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N,4-dibenzyl-N-(2-hydroxyethyl)thieno[3,2-b]pyrrole-5-carboxamide (CID 51048620) is N,4-dibenzyl-N-(2-hydroxyethyl)thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N,4-dibenzyl-N-(2-hydroxyethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N,4-dibenzyl-N-(2-hydroxyethyl)thieno[3,2-b]pyrrole-5-carboxamide is O=C(c1cc2sccc2n1Cc1ccccc1)N(CCO)Cc1ccccc1.
What is the InChIKey of N,4-dibenzyl-N-(2-hydroxyethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is OTYIFNSHOQJJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c26-13-12-24(16-18-7-3-1-4-8-18)23(27)21-15-22-20(11-14-28-22)25(21)17-19-9-5-2-6-10-19/h1-11,14-15,26H,12-13,16-17H2.
What are the key properties of N,4-dibenzyl-N-(2-hydroxyethyl)thieno[3,2-b]pyrrole-5-carboxamide?
N,4-dibenzyl-N-(2-hydroxyethyl)thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dibenzyl-N-(2-hydroxyethyl)thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 51048620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).