N-cyclohexyl-2-[3-(5-methyl-2,3-dihydrothiophen-2-yl)-6-oxopyridazin-1-yl]acetamide

C17H23N3O2S — CID 166850904

IUPACN-cyclohexyl-2-[3-(5-methyl-2,3-dihydrothiophen-2-yl)-6-oxopyridazin-1-yl]acetamide
SMILESCC1=CCC(c2ccc(=O)n(CC(=O)NC3CCCCC3)n2)S1
InChIInChI=1S/C17H23N3O2S/c1-12-7-9-15(23-12)14-8-10-17(22)20(19-14)11-16(21)18-13-5-3-2-4-6-13/h7-8,10,13,15H,2-6,9,11H2,1H3,(H,18,21)
InChIKeyHPDGLQLWDWAALF-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.77
Rot. Bonds4

About N-cyclohexyl-2-[3-(5-methyl-2,3-dihydrothiophen-2-yl)-6-oxopyridazin-1-yl]acetamide

N-cyclohexyl-2-[3-(5-methyl-2,3-dihydrothiophen-2-yl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 166850904) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-(5-methyl-2,3-dihydrothiophen-2-yl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-(5-methyl-2,3-dihydrothiophen-2-yl)-6-oxopyridazin-1-yl]acetamide
PubChem CID166850904
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-cyclohexyl-2-[3-(5-methyl-2,3-dihydrothiophen-2-yl)-6-oxopyridazin-1-yl]acetamide
SMILESCC1=CCC(c2ccc(=O)n(CC(=O)NC3CCCCC3)n2)S1
InChIInChI=1S/C17H23N3O2S/c1-12-7-9-15(23-12)14-8-10-17(22)20(19-14)11-16(21)18-13-5-3-2-4-6-13/h7-8,10,13,15H,2-6,9,11H2,1H3,(H,18,21)
InChIKeyHPDGLQLWDWAALF-UHFFFAOYSA-N
XLogP2.77
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-(5-methyl-2,3-dihydrothiophen-2-yl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[3-(5-methyl-2,3-dihydrothiophen-2-yl)-6-oxopyridazin-1-yl]acetamide (CID 166850904) is N-cyclohexyl-2-[3-(5-methyl-2,3-dihydrothiophen-2-yl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[3-(5-methyl-2,3-dihydrothiophen-2-yl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[3-(5-methyl-2,3-dihydrothiophen-2-yl)-6-oxopyridazin-1-yl]acetamide is CC1=CCC(c2ccc(=O)n(CC(=O)NC3CCCCC3)n2)S1.
What is the InChIKey of N-cyclohexyl-2-[3-(5-methyl-2,3-dihydrothiophen-2-yl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is HPDGLQLWDWAALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-12-7-9-15(23-12)14-8-10-17(22)20(19-14)11-16(21)18-13-5-3-2-4-6-13/h7-8,10,13,15H,2-6,9,11H2,1H3,(H,18,21).
What are the key properties of N-cyclohexyl-2-[3-(5-methyl-2,3-dihydrothiophen-2-yl)-6-oxopyridazin-1-yl]acetamide?
N-cyclohexyl-2-[3-(5-methyl-2,3-dihydrothiophen-2-yl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 333.46 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-(5-methyl-2,3-dihydrothiophen-2-yl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 166850904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).