N-[(4-chlorophenyl)methyl]-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide

C17H14ClN3O2S — CID 7207296

IUPACN-[(4-chlorophenyl)methyl]-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccco2)nn1)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN3O2S/c18-13-5-3-12(4-6-13)10-19-16(22)11-24-17-8-7-14(20-21-17)15-2-1-9-23-15/h1-9H,10-11H2,(H,19,22)
InChIKeyQUZQIRUHTIRDQR-UHFFFAOYSA-N
MW359.84 g/mol
LogP3.80
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide

N-[(4-chlorophenyl)methyl]-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7207296) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7207296
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccco2)nn1)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN3O2S/c18-13-5-3-12(4-6-13)10-19-16(22)11-24-17-8-7-14(20-21-17)15-2-1-9-23-15/h1-9H,10-11H2,(H,19,22)
InChIKeyQUZQIRUHTIRDQR-UHFFFAOYSA-N
XLogP3.80
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide (CID 7207296) is N-[(4-chlorophenyl)methyl]-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide is O=C(CSc1ccc(-c2ccco2)nn1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is QUZQIRUHTIRDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c18-13-5-3-12(4-6-13)10-19-16(22)11-24-17-8-7-14(20-21-17)15-2-1-9-23-15/h1-9H,10-11H2,(H,19,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
N-[(4-chlorophenyl)methyl]-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 359.84 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7207296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).