N-(3-methylphenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide

C21H22N4OS — CID 53073997

IUPACN-(3-methylphenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide
SMILESCc1ccc(CNc2ccc(SCC(=O)Nc3cccc(C)c3)nn2)cc1
InChIInChI=1S/C21H22N4OS/c1-15-6-8-17(9-7-15)13-22-19-10-11-21(25-24-19)27-14-20(26)23-18-5-3-4-16(2)12-18/h3-12H,13-14H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyPSOPVEMVIHMJBW-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.44
Rot. Bonds7

About N-(3-methylphenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide

N-(3-methylphenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide (PubChem CID 53073997) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide
PubChem CID53073997
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC NameN-(3-methylphenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide
SMILESCc1ccc(CNc2ccc(SCC(=O)Nc3cccc(C)c3)nn2)cc1
InChIInChI=1S/C21H22N4OS/c1-15-6-8-17(9-7-15)13-22-19-10-11-21(25-24-19)27-14-20(26)23-18-5-3-4-16(2)12-18/h3-12H,13-14H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyPSOPVEMVIHMJBW-UHFFFAOYSA-N
XLogP4.44
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide
CID 53073983
2-[6-(benzylamino)pyridazin-3-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 53073932
ethyl 4-[[2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetyl]amino]benzoate
CID 53073966
2-[6-(benzylamino)pyridazin-3-yl]sulfanyl-N-(4-bromophenyl)acetamide
CID 53073922
N-[(3-methoxyphenyl)methyl]-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide
CID 53073991
N-(3-fluorophenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8542501
ethyl 4-[[2-[6-(benzylamino)pyridazin-3-yl]sulfanylacetyl]amino]benzoate
CID 53073910
2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041016
2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-phenylacetamide
CID 8699462
3-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041075
N-(3-methoxyphenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502738
ethyl 4-[[2-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]sulfanylacetyl]amino]benzoate
CID 53074042

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(3-methylphenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide (CID 53073997) is N-(3-methylphenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide is Cc1ccc(CNc2ccc(SCC(=O)Nc3cccc(C)c3)nn2)cc1.
What is the InChIKey of N-(3-methylphenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide?
The InChIKey is PSOPVEMVIHMJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c1-15-6-8-17(9-7-15)13-22-19-10-11-21(25-24-19)27-14-20(26)23-18-5-3-4-16(2)12-18/h3-12H,13-14H2,1-2H3,(H,22,24)(H,23,26).
What are the key properties of N-(3-methylphenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide?
N-(3-methylphenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide has a molecular weight of 378.50 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 53073997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).