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

C14H13Cl2N3O3S — CID 27318712

IUPACN-[2-[5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]thiophen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)s1
InChIInChI=1S/C14H13Cl2N3O3S/c1-8(20)17-5-4-9-2-3-12(23-9)11(21)7-19-14(22)13(16)10(15)6-18-19/h2-3,6H,4-5,7H2,1H3,(H,17,20)
InChIKeyPQWKEGKZYQGWCH-UHFFFAOYSA-N
MW374.25 g/mol
LogP2.17
Rot. Bonds6

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

N-[2-[5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]thiophen-2-yl]ethyl]acetamide (PubChem CID 27318712) has the molecular formula C14H13Cl2N3O3S and a molecular weight of 374.25 g/mol. Its IUPAC name is N-[2-[5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]thiophen-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]thiophen-2-yl]ethyl]acetamide
PubChem CID27318712
Molecular FormulaC14H13Cl2N3O3S
Molecular Weight374.25 g/mol
Exact Mass373.01
IUPAC NameN-[2-[5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]thiophen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)s1
InChIInChI=1S/C14H13Cl2N3O3S/c1-8(20)17-5-4-9-2-3-12(23-9)11(21)7-19-14(22)13(16)10(15)6-18-19/h2-3,6H,4-5,7H2,1H3,(H,17,20)
InChIKeyPQWKEGKZYQGWCH-UHFFFAOYSA-N
XLogP2.17
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]thiophen-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]thiophen-2-yl]ethyl]acetamide (CID 27318712) is N-[2-[5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]thiophen-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]thiophen-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]thiophen-2-yl]ethyl]acetamide is CC(=O)NCCc1ccc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)s1.
What is the InChIKey of N-[2-[5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]thiophen-2-yl]ethyl]acetamide?
The InChIKey is PQWKEGKZYQGWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O3S/c1-8(20)17-5-4-9-2-3-12(23-9)11(21)7-19-14(22)13(16)10(15)6-18-19/h2-3,6H,4-5,7H2,1H3,(H,17,20).
What are the key properties of N-[2-[5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]thiophen-2-yl]ethyl]acetamide?
N-[2-[5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]thiophen-2-yl]ethyl]acetamide has a molecular weight of 374.25 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]thiophen-2-yl]ethyl]acetamide is sourced from PubChem (CID 27318712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).