5-acetamido-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide

C13H17N3O2S — CID 4102436

IUPAC5-acetamido-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1sc(NC(C)=O)c(C#N)c1C
InChIInChI=1S/C13H17N3O2S/c1-5-16(6-2)13(18)11-8(3)10(7-14)12(19-11)15-9(4)17/h5-6H2,1-4H3,(H,15,17)
InChIKeyJUAPTJGKBGDICW-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.37
Rot. Bonds4

About 5-acetamido-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide

5-acetamido-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide (PubChem CID 4102436) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 5-acetamido-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide
PubChem CID4102436
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name5-acetamido-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1sc(NC(C)=O)c(C#N)c1C
InChIInChI=1S/C13H17N3O2S/c1-5-16(6-2)13(18)11-8(3)10(7-14)12(19-11)15-9(4)17/h5-6H2,1-4H3,(H,15,17)
InChIKeyJUAPTJGKBGDICW-UHFFFAOYSA-N
XLogP2.37
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-acetamido-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide (CID 4102436) is 5-acetamido-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide is CCN(CC)C(=O)c1sc(NC(C)=O)c(C#N)c1C.
What is the InChIKey of 5-acetamido-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide?
The InChIKey is JUAPTJGKBGDICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-5-16(6-2)13(18)11-8(3)10(7-14)12(19-11)15-9(4)17/h5-6H2,1-4H3,(H,15,17).
What are the key properties of 5-acetamido-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide?
5-acetamido-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 4102436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).