N-(4-amino-3,5-dichlorophenyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide

C18H12Cl2N4O2S2 — CID 55450729

IUPACN-(4-amino-3,5-dichlorophenyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESNc1c(Cl)cc(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)cc1Cl
InChIInChI=1S/C18H12Cl2N4O2S2/c19-11-4-9(5-12(20)16(11)21)23-14(25)6-24-8-22-17-15(18(24)26)10(7-28-17)13-2-1-3-27-13/h1-5,7-8H,6,21H2,(H,23,25)
InChIKeySUJVLHPDYXEKSW-UHFFFAOYSA-N
MW451.36 g/mol
LogP4.71
Rot. Bonds4

About N-(4-amino-3,5-dichlorophenyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide

N-(4-amino-3,5-dichlorophenyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 55450729) has the molecular formula C18H12Cl2N4O2S2 and a molecular weight of 451.36 g/mol. Its IUPAC name is N-(4-amino-3,5-dichlorophenyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-3,5-dichlorophenyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID55450729
Molecular FormulaC18H12Cl2N4O2S2
Molecular Weight451.36 g/mol
Exact Mass449.98
IUPAC NameN-(4-amino-3,5-dichlorophenyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESNc1c(Cl)cc(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)cc1Cl
InChIInChI=1S/C18H12Cl2N4O2S2/c19-11-4-9(5-12(20)16(11)21)23-14(25)6-24-8-22-17-15(18(24)26)10(7-28-17)13-2-1-3-27-13/h1-5,7-8H,6,21H2,(H,23,25)
InChIKeySUJVLHPDYXEKSW-UHFFFAOYSA-N
XLogP4.71
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.36
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide
CID 52719526
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-(phenylcarbamoyl)acetamide
CID 53497696
N-(3-aminopropyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 119404828
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
2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-pentan-3-ylacetamide
CID 24680950
2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
CID 24563675
N-cycloheptyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 4783612
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 55371710
N-(2-ethylsulfonylphenyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 55613603

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,5-dichlorophenyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(4-amino-3,5-dichlorophenyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide (CID 55450729) is N-(4-amino-3,5-dichlorophenyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(4-amino-3,5-dichlorophenyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(4-amino-3,5-dichlorophenyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide is Nc1c(Cl)cc(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)cc1Cl.
What is the InChIKey of N-(4-amino-3,5-dichlorophenyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is SUJVLHPDYXEKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N4O2S2/c19-11-4-9(5-12(20)16(11)21)23-14(25)6-24-8-22-17-15(18(24)26)10(7-28-17)13-2-1-3-27-13/h1-5,7-8H,6,21H2,(H,23,25).
What are the key properties of N-(4-amino-3,5-dichlorophenyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide?
N-(4-amino-3,5-dichlorophenyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 451.36 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,5-dichlorophenyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 55450729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).