N-(furan-2-ylmethyl)-4-phenacylthieno[3,2-b]pyrrole-5-carboxamide

C20H16N2O3S — CID 646759

IUPACN-(furan-2-ylmethyl)-4-phenacylthieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(Cn1c(C(=O)NCc2ccco2)cc2sccc21)c1ccccc1
InChIInChI=1S/C20H16N2O3S/c23-18(14-5-2-1-3-6-14)13-22-16-8-10-26-19(16)11-17(22)20(24)21-12-15-7-4-9-25-15/h1-11H,12-13H2,(H,21,24)
InChIKeyDDODMSNMNRNGFM-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.11
Rot. Bonds6

About N-(furan-2-ylmethyl)-4-phenacylthieno[3,2-b]pyrrole-5-carboxamide

N-(furan-2-ylmethyl)-4-phenacylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 646759) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-phenacylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-phenacylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID646759
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC NameN-(furan-2-ylmethyl)-4-phenacylthieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(Cn1c(C(=O)NCc2ccco2)cc2sccc21)c1ccccc1
InChIInChI=1S/C20H16N2O3S/c23-18(14-5-2-1-3-6-14)13-22-16-8-10-26-19(16)11-17(22)20(24)21-12-15-7-4-9-25-15/h1-11H,12-13H2,(H,21,24)
InChIKeyDDODMSNMNRNGFM-UHFFFAOYSA-N
XLogP4.11
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-phenacylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-phenacylthieno[3,2-b]pyrrole-5-carboxamide (CID 646759) is N-(furan-2-ylmethyl)-4-phenacylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-phenacylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-phenacylthieno[3,2-b]pyrrole-5-carboxamide is O=C(Cn1c(C(=O)NCc2ccco2)cc2sccc21)c1ccccc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-phenacylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is DDODMSNMNRNGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c23-18(14-5-2-1-3-6-14)13-22-16-8-10-26-19(16)11-17(22)20(24)21-12-15-7-4-9-25-15/h1-11H,12-13H2,(H,21,24).
What are the key properties of N-(furan-2-ylmethyl)-4-phenacylthieno[3,2-b]pyrrole-5-carboxamide?
N-(furan-2-ylmethyl)-4-phenacylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-phenacylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 646759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).