N-(3-chloro-4-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide

C18H15ClN4OS — CID 7222518

IUPACN-(3-chloro-4-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ccc(-c3cccnc3)nn2)cc1Cl
InChIInChI=1S/C18H15ClN4OS/c1-12-4-5-14(9-15(12)19)21-17(24)11-25-18-7-6-16(22-23-18)13-3-2-8-20-10-13/h2-10H,11H2,1H3,(H,21,24)
InChIKeyGWPMPTHDLXPTOS-UHFFFAOYSA-N
MW370.87 g/mol
LogP4.23
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide

N-(3-chloro-4-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 7222518) has the molecular formula C18H15ClN4OS and a molecular weight of 370.87 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID7222518
Molecular FormulaC18H15ClN4OS
Molecular Weight370.87 g/mol
Exact Mass370.07
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ccc(-c3cccnc3)nn2)cc1Cl
InChIInChI=1S/C18H15ClN4OS/c1-12-4-5-14(9-15(12)19)21-17(24)11-25-18-7-6-16(22-23-18)13-3-2-8-20-10-13/h2-10H,11H2,1H3,(H,21,24)
InChIKeyGWPMPTHDLXPTOS-UHFFFAOYSA-N
XLogP4.23
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.87
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide (CID 7222518) is N-(3-chloro-4-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide is Cc1ccc(NC(=O)CSc2ccc(-c3cccnc3)nn2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is GWPMPTHDLXPTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4OS/c1-12-4-5-14(9-15(12)19)21-17(24)11-25-18-7-6-16(22-23-18)13-3-2-8-20-10-13/h2-10H,11H2,1H3,(H,21,24).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
N-(3-chloro-4-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 370.87 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 7222518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).