4,5-dimethyl-N-[(E)-1-thiophen-2-ylbutylideneamino]thiophene-3-carboxamide

C15H18N2OS2 — CID 6112937

IUPAC4,5-dimethyl-N-[(E)-1-thiophen-2-ylbutylideneamino]thiophene-3-carboxamide
SMILESCCC/C(=N\NC(=O)c1csc(C)c1C)c1cccs1
InChIInChI=1S/C15H18N2OS2/c1-4-6-13(14-7-5-8-19-14)16-17-15(18)12-9-20-11(3)10(12)2/h5,7-9H,4,6H2,1-3H3,(H,17,18)/b16-13+
InChIKeyNHIWJBQADXGQLQ-DTQAZKPQSA-N
MW306.46 g/mol
LogP4.36
Rot. Bonds5

About 4,5-dimethyl-N-[(E)-1-thiophen-2-ylbutylideneamino]thiophene-3-carboxamide

4,5-dimethyl-N-[(E)-1-thiophen-2-ylbutylideneamino]thiophene-3-carboxamide (PubChem CID 6112937) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 4,5-dimethyl-N-[(E)-1-thiophen-2-ylbutylideneamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[(E)-1-thiophen-2-ylbutylideneamino]thiophene-3-carboxamide
PubChem CID6112937
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC Name4,5-dimethyl-N-[(E)-1-thiophen-2-ylbutylideneamino]thiophene-3-carboxamide
SMILESCCC/C(=N\NC(=O)c1csc(C)c1C)c1cccs1
InChIInChI=1S/C15H18N2OS2/c1-4-6-13(14-7-5-8-19-14)16-17-15(18)12-9-20-11(3)10(12)2/h5,7-9H,4,6H2,1-3H3,(H,17,18)/b16-13+
InChIKeyNHIWJBQADXGQLQ-DTQAZKPQSA-N
XLogP4.36
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[(E)-1-thiophen-2-ylbutylideneamino]thiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[(E)-1-thiophen-2-ylbutylideneamino]thiophene-3-carboxamide (CID 6112937) is 4,5-dimethyl-N-[(E)-1-thiophen-2-ylbutylideneamino]thiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[(E)-1-thiophen-2-ylbutylideneamino]thiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[(E)-1-thiophen-2-ylbutylideneamino]thiophene-3-carboxamide is CCC/C(=N\NC(=O)c1csc(C)c1C)c1cccs1.
What is the InChIKey of 4,5-dimethyl-N-[(E)-1-thiophen-2-ylbutylideneamino]thiophene-3-carboxamide?
The InChIKey is NHIWJBQADXGQLQ-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-4-6-13(14-7-5-8-19-14)16-17-15(18)12-9-20-11(3)10(12)2/h5,7-9H,4,6H2,1-3H3,(H,17,18)/b16-13+.
What are the key properties of 4,5-dimethyl-N-[(E)-1-thiophen-2-ylbutylideneamino]thiophene-3-carboxamide?
4,5-dimethyl-N-[(E)-1-thiophen-2-ylbutylideneamino]thiophene-3-carboxamide has a molecular weight of 306.46 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[(E)-1-thiophen-2-ylbutylideneamino]thiophene-3-carboxamide is sourced from PubChem (CID 6112937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).