1-(4-chlorophenyl)-6-methyl-4-oxo-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyridazine-3-carboxamide

C19H18ClN3O2S2 — CID 18288535

IUPAC1-(4-chlorophenyl)-6-methyl-4-oxo-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCSCc2ccsc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O2S2/c1-13-10-17(24)18(22-23(13)16-4-2-15(20)3-5-16)19(25)21-7-9-27-12-14-6-8-26-11-14/h2-6,8,10-11H,7,9,12H2,1H3,(H,21,25)
InChIKeyGOZPUXCQQALOKQ-UHFFFAOYSA-N
MW419.96 g/mol
LogP3.92
Rot. Bonds7

About 1-(4-chlorophenyl)-6-methyl-4-oxo-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyridazine-3-carboxamide

1-(4-chlorophenyl)-6-methyl-4-oxo-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyridazine-3-carboxamide (PubChem CID 18288535) has the molecular formula C19H18ClN3O2S2 and a molecular weight of 419.96 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6-methyl-4-oxo-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6-methyl-4-oxo-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyridazine-3-carboxamide
PubChem CID18288535
Molecular FormulaC19H18ClN3O2S2
Molecular Weight419.96 g/mol
Exact Mass419.05
IUPAC Name1-(4-chlorophenyl)-6-methyl-4-oxo-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCSCc2ccsc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O2S2/c1-13-10-17(24)18(22-23(13)16-4-2-15(20)3-5-16)19(25)21-7-9-27-12-14-6-8-26-11-14/h2-6,8,10-11H,7,9,12H2,1H3,(H,21,25)
InChIKeyGOZPUXCQQALOKQ-UHFFFAOYSA-N
XLogP3.92
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.96
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 9088610
1-(4-chlorophenyl)-N-(4-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9077968
1-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9191703
N'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide
CID 26924295
1-(4-chlorophenyl)-6-methyl-N-(5-methylhexan-2-yl)-4-oxopyridazine-3-carboxamide
CID 46515956
N'-(3-chlorobenzoyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 27669104
1-(4-chlorophenyl)-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 26926496
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 100584803
2-N,6-N-bis[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyridine-2,6-dicarboxamide
CID 39044507
4-methoxy-1-phenyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide
CID 24502018
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 86968285
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide
CID 18284701

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-6-methyl-4-oxo-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-6-methyl-4-oxo-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyridazine-3-carboxamide (CID 18288535) is 1-(4-chlorophenyl)-6-methyl-4-oxo-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-6-methyl-4-oxo-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-6-methyl-4-oxo-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NCCSCc2ccsc2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-6-methyl-4-oxo-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyridazine-3-carboxamide?
The InChIKey is GOZPUXCQQALOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S2/c1-13-10-17(24)18(22-23(13)16-4-2-15(20)3-5-16)19(25)21-7-9-27-12-14-6-8-26-11-14/h2-6,8,10-11H,7,9,12H2,1H3,(H,21,25).
What are the key properties of 1-(4-chlorophenyl)-6-methyl-4-oxo-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyridazine-3-carboxamide?
1-(4-chlorophenyl)-6-methyl-4-oxo-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyridazine-3-carboxamide has a molecular weight of 419.96 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-6-methyl-4-oxo-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 18288535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).