2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide

C23H18N4O2S — CID 6864180

IUPAC2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
SMILESO=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N/N=C/C=C/c1ccccc1
InChIInChI=1S/C23H18N4O2S/c28-21(26-25-13-7-10-17-8-3-1-4-9-17)15-27-16-24-22-19(23(27)29)14-20(30-22)18-11-5-2-6-12-18/h1-14,16H,15H2,(H,26,28)/b10-7+,25-13+
InChIKeySZPQYUFVARALBO-ZSUUSQSNSA-N
MW414.49 g/mol
LogP3.94
Rot. Bonds6

About 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide

2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide (PubChem CID 6864180) has the molecular formula C23H18N4O2S and a molecular weight of 414.49 g/mol. Its IUPAC name is 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
PubChem CID6864180
Molecular FormulaC23H18N4O2S
Molecular Weight414.49 g/mol
Exact Mass414.12
IUPAC Name2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
SMILESO=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N/N=C/C=C/c1ccccc1
InChIInChI=1S/C23H18N4O2S/c28-21(26-25-13-7-10-17-8-3-1-4-9-17)15-27-16-24-22-19(23(27)29)14-20(30-22)18-11-5-2-6-12-18/h1-14,16H,15H2,(H,26,28)/b10-7+,25-13+
InChIKeySZPQYUFVARALBO-ZSUUSQSNSA-N
XLogP3.94
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 135572062
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 6864192
N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 5451910
N-[(E)-(4-nitrophenyl)methylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 6864207
N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 6864212
2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide
CID 4117193
N-cyclopentyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7630192
2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide
CID 1193249
N-cycloheptyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7886203
N-(4-methylsulfanylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 24565191
N-(1,2-oxazol-3-yl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 17424882
N-[(2-fluorophenyl)methyl]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9456009

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The IUPAC name of 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide (CID 6864180) is 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N/N=C/C=C/c1ccccc1.
What is the InChIKey of 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The InChIKey is SZPQYUFVARALBO-ZSUUSQSNSA-N. The full InChI is InChI=1S/C23H18N4O2S/c28-21(26-25-13-7-10-17-8-3-1-4-9-17)15-27-16-24-22-19(23(27)29)14-20(30-22)18-11-5-2-6-12-18/h1-14,16H,15H2,(H,26,28)/b10-7+,25-13+.
What are the key properties of 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide has a molecular weight of 414.49 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is sourced from PubChem (CID 6864180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).