N-[1-(1-benzofuran-2-yl)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide

C17H14N2O2S — CID 86807706

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCC(NC(=O)c1cc2sccc2[nH]1)c1cc2ccccc2o1
InChIInChI=1S/C17H14N2O2S/c1-10(15-8-11-4-2-3-5-14(11)21-15)18-17(20)13-9-16-12(19-13)6-7-22-16/h2-10,19H,1H3,(H,18,20)
InChIKeyOIFDUOAGOJZRKR-UHFFFAOYSA-N
MW310.38 g/mol
LogP4.47
Rot. Bonds3

About N-[1-(1-benzofuran-2-yl)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide

N-[1-(1-benzofuran-2-yl)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 86807706) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID86807706
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCC(NC(=O)c1cc2sccc2[nH]1)c1cc2ccccc2o1
InChIInChI=1S/C17H14N2O2S/c1-10(15-8-11-4-2-3-5-14(11)21-15)18-17(20)13-9-16-12(19-13)6-7-22-16/h2-10,19H,1H3,(H,18,20)
InChIKeyOIFDUOAGOJZRKR-UHFFFAOYSA-N
XLogP4.47
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 86807706) is N-[1-(1-benzofuran-2-yl)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide is CC(NC(=O)c1cc2sccc2[nH]1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is OIFDUOAGOJZRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c1-10(15-8-11-4-2-3-5-14(11)21-15)18-17(20)13-9-16-12(19-13)6-7-22-16/h2-10,19H,1H3,(H,18,20).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
N-[1-(1-benzofuran-2-yl)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 86807706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).