N-[[5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]thiophen-2-yl]methyl]acetamide

C13H11Cl2N3O3S — CID 8520547

IUPACN-[[5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)s1
InChIInChI=1S/C13H11Cl2N3O3S/c1-7(19)16-4-8-2-3-11(22-8)10(20)6-18-13(21)12(15)9(14)5-17-18/h2-3,5H,4,6H2,1H3,(H,16,19)
InChIKeyRIEZZOSVYYAEHB-UHFFFAOYSA-N
MW360.22 g/mol
LogP2.13
Rot. Bonds5

About N-[[5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]thiophen-2-yl]methyl]acetamide

N-[[5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]thiophen-2-yl]methyl]acetamide (PubChem CID 8520547) has the molecular formula C13H11Cl2N3O3S and a molecular weight of 360.22 g/mol. Its IUPAC name is N-[[5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]thiophen-2-yl]methyl]acetamide
PubChem CID8520547
Molecular FormulaC13H11Cl2N3O3S
Molecular Weight360.22 g/mol
Exact Mass358.99
IUPAC NameN-[[5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)s1
InChIInChI=1S/C13H11Cl2N3O3S/c1-7(19)16-4-8-2-3-11(22-8)10(20)6-18-13(21)12(15)9(14)5-17-18/h2-3,5H,4,6H2,1H3,(H,16,19)
InChIKeyRIEZZOSVYYAEHB-UHFFFAOYSA-N
XLogP2.13
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]thiophen-2-yl]methyl]acetamide (CID 8520547) is N-[[5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]thiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)s1.
What is the InChIKey of N-[[5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is RIEZZOSVYYAEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O3S/c1-7(19)16-4-8-2-3-11(22-8)10(20)6-18-13(21)12(15)9(14)5-17-18/h2-3,5H,4,6H2,1H3,(H,16,19).
What are the key properties of N-[[5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]thiophen-2-yl]methyl]acetamide?
N-[[5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 360.22 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 8520547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).