N,N-diethylthieno[3,2-b]thiophene-5-carboxamide

C11H13NOS2 — CID 2739961

IUPACN,N-diethylthieno[3,2-b]thiophene-5-carboxamide
SMILESCCN(CC)C(=O)c1cc2sccc2s1
InChIInChI=1S/C11H13NOS2/c1-3-12(4-2)11(13)10-7-9-8(15-10)5-6-14-9/h5-7H,3-4H2,1-2H3
InChIKeyIHGIUUOGBKMUGZ-UHFFFAOYSA-N
MW239.37 g/mol
LogP3.44
Rot. Bonds3

About N,N-diethylthieno[3,2-b]thiophene-5-carboxamide

N,N-diethylthieno[3,2-b]thiophene-5-carboxamide (PubChem CID 2739961) has the molecular formula C11H13NOS2 and a molecular weight of 239.37 g/mol. Its IUPAC name is N,N-diethylthieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN,N-diethylthieno[3,2-b]thiophene-5-carboxamide
PubChem CID2739961
Molecular FormulaC11H13NOS2
Molecular Weight239.37 g/mol
Exact Mass239.04
IUPAC NameN,N-diethylthieno[3,2-b]thiophene-5-carboxamide
SMILESCCN(CC)C(=O)c1cc2sccc2s1
InChIInChI=1S/C11H13NOS2/c1-3-12(4-2)11(13)10-7-9-8(15-10)5-6-14-9/h5-7H,3-4H2,1-2H3
InChIKeyIHGIUUOGBKMUGZ-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylthieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N,N-diethylthieno[3,2-b]thiophene-5-carboxamide (CID 2739961) is N,N-diethylthieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N,N-diethylthieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N,N-diethylthieno[3,2-b]thiophene-5-carboxamide is CCN(CC)C(=O)c1cc2sccc2s1.
What is the InChIKey of N,N-diethylthieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is IHGIUUOGBKMUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS2/c1-3-12(4-2)11(13)10-7-9-8(15-10)5-6-14-9/h5-7H,3-4H2,1-2H3.
What are the key properties of N,N-diethylthieno[3,2-b]thiophene-5-carboxamide?
N,N-diethylthieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 239.37 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylthieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 2739961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).