N-(2-methoxy-5-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide

C18H17N3O2S2 — CID 20900465

IUPACN-(2-methoxy-5-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1ccc(-c2cccs2)nn1
InChIInChI=1S/C18H17N3O2S2/c1-12-5-7-15(23-2)14(10-12)19-17(22)11-25-18-8-6-13(20-21-18)16-4-3-9-24-16/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyRCVBFNQHQRBYIJ-UHFFFAOYSA-N
MW371.49 g/mol
LogP4.25
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide

N-(2-methoxy-5-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 20900465) has the molecular formula C18H17N3O2S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID20900465
Molecular FormulaC18H17N3O2S2
Molecular Weight371.49 g/mol
Exact Mass371.08
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1ccc(-c2cccs2)nn1
InChIInChI=1S/C18H17N3O2S2/c1-12-5-7-15(23-2)14(10-12)19-17(22)11-25-18-8-6-13(20-21-18)16-4-3-9-24-16/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyRCVBFNQHQRBYIJ-UHFFFAOYSA-N
XLogP4.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-2-[(6-thien-2-ylpyridazin-3-yl)thio]acetamide
CID 16194085
N-(3-methoxybenzyl)-2-[(6-thien-2-ylpyridazin-3-yl)thio]acetamide
CID 16194270
N-(2,4-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 7207136
N-(2-methoxybenzyl)-2-[(6-thien-2-ylpyridazin-3-yl)thio]acetamide
CID 16194315
N-(4-methoxyphenethyl)-2-((6-(thiophen-2-yl)pyridazin-3-yl)thio)acetamide
CID 16194335
N-(3-(6-(ethylsulfonyl)pyridazin-3-yl)phenyl)-2-phenoxyacetamide
CID 18567805
N-[3-(6-methoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide
CID 7593509
N-(2-methoxy-5-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7207453
N-(2-methoxy-5-methylphenyl)-2-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4022735
2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 7207557
2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)-N-(2-methoxyphenyl)acetamide
CID 7222583
N-(4-methoxyphenyl)-2-((6-(thiophen-2-yl)pyridazin-3-yl)thio)acetamide
CID 16019264

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide (CID 20900465) is N-(2-methoxy-5-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide is COc1ccc(C)cc1NC(=O)CSc1ccc(-c2cccs2)nn1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is RCVBFNQHQRBYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S2/c1-12-5-7-15(23-2)14(10-12)19-17(22)11-25-18-8-6-13(20-21-18)16-4-3-9-24-16/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
N-(2-methoxy-5-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 371.49 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 20900465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).