N-cyclohexyl-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide

C19H23N3O2S — CID 3228005

IUPACN-cyclohexyl-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(-c2ccc(SCC(=O)NC3CCCCC3)nn2)cc1
InChIInChI=1S/C19H23N3O2S/c1-24-16-9-7-14(8-10-16)17-11-12-19(22-21-17)25-13-18(23)20-15-5-3-2-4-6-15/h7-12,15H,2-6,13H2,1H3,(H,20,23)
InChIKeyOTEPKMUASYLQDX-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.69
Rot. Bonds6

About N-cyclohexyl-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide

N-cyclohexyl-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 3228005) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-cyclohexyl-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID3228005
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-cyclohexyl-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(-c2ccc(SCC(=O)NC3CCCCC3)nn2)cc1
InChIInChI=1S/C19H23N3O2S/c1-24-16-9-7-14(8-10-16)17-11-12-19(22-21-17)25-13-18(23)20-15-5-3-2-4-6-15/h7-12,15H,2-6,13H2,1H3,(H,20,23)
InChIKeyOTEPKMUASYLQDX-UHFFFAOYSA-N
XLogP3.69
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide (CID 3228005) is N-cyclohexyl-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide is COc1ccc(-c2ccc(SCC(=O)NC3CCCCC3)nn2)cc1.
What is the InChIKey of N-cyclohexyl-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is OTEPKMUASYLQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-24-16-9-7-14(8-10-16)17-11-12-19(22-21-17)25-13-18(23)20-15-5-3-2-4-6-15/h7-12,15H,2-6,13H2,1H3,(H,20,23).
What are the key properties of N-cyclohexyl-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
N-cyclohexyl-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 357.48 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 3228005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).