N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide

C15H14N2OS — CID 6880299

IUPACN-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide
SMILESCC(/C=N/NC(=O)c1cccs1)=C\c1ccccc1
InChIInChI=1S/C15H14N2OS/c1-12(10-13-6-3-2-4-7-13)11-16-17-15(18)14-8-5-9-19-14/h2-11H,1H3,(H,17,18)/b12-10+,16-11+
InChIKeyUZZQSMWNJQJJKG-SKZWUVKFSA-N
MW270.36 g/mol
LogP3.57
Rot. Bonds4

About N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide

N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide (PubChem CID 6880299) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide
PubChem CID6880299
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC NameN-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide
SMILESCC(/C=N/NC(=O)c1cccs1)=C\c1ccccc1
InChIInChI=1S/C15H14N2OS/c1-12(10-13-6-3-2-4-7-13)11-16-17-15(18)14-8-5-9-19-14/h2-11H,1H3,(H,17,18)/b12-10+,16-11+
InChIKeyUZZQSMWNJQJJKG-SKZWUVKFSA-N
XLogP3.57
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide?
The IUPAC name of N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide (CID 6880299) is N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide?
The canonical SMILES for N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide is CC(/C=N/NC(=O)c1cccs1)=C\c1ccccc1.
What is the InChIKey of N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide?
The InChIKey is UZZQSMWNJQJJKG-SKZWUVKFSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-12(10-13-6-3-2-4-7-13)11-16-17-15(18)14-8-5-9-19-14/h2-11H,1H3,(H,17,18)/b12-10+,16-11+.
What are the key properties of N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide?
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide has a molecular weight of 270.36 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide is sourced from PubChem (CID 6880299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).