N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide

C23H17N5O3S2 — CID 55371710

IUPACN-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCn1ccnc1C(=O)c1ccc(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)cc1
InChIInChI=1S/C23H17N5O3S2/c1-27-9-8-24-21(27)20(30)14-4-6-15(7-5-14)26-18(29)11-28-13-25-22-19(23(28)31)16(12-33-22)17-3-2-10-32-17/h2-10,12-13H,11H2,1H3,(H,26,29)
InChIKeyIFYPSASRLNNEMF-UHFFFAOYSA-N
MW475.56 g/mol
LogP3.79
Rot. Bonds6

About N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide

N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 55371710) has the molecular formula C23H17N5O3S2 and a molecular weight of 475.56 g/mol. Its IUPAC name is N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID55371710
Molecular FormulaC23H17N5O3S2
Molecular Weight475.56 g/mol
Exact Mass475.08
IUPAC NameN-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCn1ccnc1C(=O)c1ccc(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)cc1
InChIInChI=1S/C23H17N5O3S2/c1-27-9-8-24-21(27)20(30)14-4-6-15(7-5-14)26-18(29)11-28-13-25-22-19(23(28)31)16(12-33-22)17-3-2-10-32-17/h2-10,12-13H,11H2,1H3,(H,26,29)
InChIKeyIFYPSASRLNNEMF-UHFFFAOYSA-N
XLogP3.79
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.56
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(phenylcarbamoyl)acetamide
CID 53497696
N-(4-amino-3,5-dichlorophenyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 55450729
ethyl (E)-3-[4-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]phenyl]prop-2-enoate
CID 24529986
methyl 2-[2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 38986049
N-(1H-indazol-5-yl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 55517371
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 26954496
2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide
CID 52719526
N-(2-chlorophenyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 30266765
2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-pentan-3-ylacetamide
CID 24680950
N-cycloheptyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 4783612
N-(2-ethylsulfonylphenyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 55613603
N-(3-ethylpent-1-yn-3-yl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18165924

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide (CID 55371710) is N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide is Cn1ccnc1C(=O)c1ccc(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)cc1.
What is the InChIKey of N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is IFYPSASRLNNEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O3S2/c1-27-9-8-24-21(27)20(30)14-4-6-15(7-5-14)26-18(29)11-28-13-25-22-19(23(28)31)16(12-33-22)17-3-2-10-32-17/h2-10,12-13H,11H2,1H3,(H,26,29).
What are the key properties of N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide?
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 475.56 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 55371710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).