N,N-diethyl-5-thiophen-2-ylthiophene-2-carboxamide

C13H15NOS2 — CID 2740027

IUPACN,N-diethyl-5-thiophen-2-ylthiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(-c2cccs2)s1
InChIInChI=1S/C13H15NOS2/c1-3-14(4-2)13(15)12-8-7-11(17-12)10-6-5-9-16-10/h5-9H,3-4H2,1-2H3
InChIKeyIJEMYRHNCXHVIJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.96
Rot. Bonds4

About N,N-diethyl-5-thiophen-2-ylthiophene-2-carboxamide

N,N-diethyl-5-thiophen-2-ylthiophene-2-carboxamide (PubChem CID 2740027) has the molecular formula C13H15NOS2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N,N-diethyl-5-thiophen-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-thiophen-2-ylthiophene-2-carboxamide
PubChem CID2740027
Molecular FormulaC13H15NOS2
Molecular Weight265.40 g/mol
Exact Mass265.06
IUPAC NameN,N-diethyl-5-thiophen-2-ylthiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(-c2cccs2)s1
InChIInChI=1S/C13H15NOS2/c1-3-14(4-2)13(15)12-8-7-11(17-12)10-6-5-9-16-10/h5-9H,3-4H2,1-2H3
InChIKeyIJEMYRHNCXHVIJ-UHFFFAOYSA-N
XLogP3.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-thiophen-2-ylthiophene-2-carboxamide?
The IUPAC name of N,N-diethyl-5-thiophen-2-ylthiophene-2-carboxamide (CID 2740027) is N,N-diethyl-5-thiophen-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N,N-diethyl-5-thiophen-2-ylthiophene-2-carboxamide?
The canonical SMILES for N,N-diethyl-5-thiophen-2-ylthiophene-2-carboxamide is CCN(CC)C(=O)c1ccc(-c2cccs2)s1.
What is the InChIKey of N,N-diethyl-5-thiophen-2-ylthiophene-2-carboxamide?
The InChIKey is IJEMYRHNCXHVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS2/c1-3-14(4-2)13(15)12-8-7-11(17-12)10-6-5-9-16-10/h5-9H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-5-thiophen-2-ylthiophene-2-carboxamide?
N,N-diethyl-5-thiophen-2-ylthiophene-2-carboxamide has a molecular weight of 265.40 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-thiophen-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 2740027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).