N-(3-butylsulfanylpropyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide

C21H31N3O2S — CID 46372560

IUPACN-(3-butylsulfanylpropyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
SMILESCCCCSCCCNC(=O)CCN1N=C(c2ccc(C)cc2)CCC1=O
InChIInChI=1S/C21H31N3O2S/c1-3-4-15-27-16-5-13-22-20(25)12-14-24-21(26)11-10-19(23-24)18-8-6-17(2)7-9-18/h6-9H,3-5,10-16H2,1-2H3,(H,22,25)
InChIKeyXUNJIGAQQAAEHP-UHFFFAOYSA-N
MW389.57 g/mol
LogP3.75
Rot. Bonds11

About N-(3-butylsulfanylpropyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide

N-(3-butylsulfanylpropyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide (PubChem CID 46372560) has the molecular formula C21H31N3O2S and a molecular weight of 389.57 g/mol. Its IUPAC name is N-(3-butylsulfanylpropyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-butylsulfanylpropyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
PubChem CID46372560
Molecular FormulaC21H31N3O2S
Molecular Weight389.57 g/mol
Exact Mass389.21
IUPAC NameN-(3-butylsulfanylpropyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
SMILESCCCCSCCCNC(=O)CCN1N=C(c2ccc(C)cc2)CCC1=O
InChIInChI=1S/C21H31N3O2S/c1-3-4-15-27-16-5-13-22-20(25)12-14-24-21(26)11-10-19(23-24)18-8-6-17(2)7-9-18/h6-9H,3-5,10-16H2,1-2H3,(H,22,25)
InChIKeyXUNJIGAQQAAEHP-UHFFFAOYSA-N
XLogP3.75
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.57
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-butylsulfanylpropyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-butylsulfanylpropyl)-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
CID 46373708
N-[2-(4-chlorophenyl)ethyl]-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
CID 46372550
2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 20968345
3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-(2-phenylethyl)propanamide
CID 6624469
3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 15993422
2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 20968351
3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(N-methylanilino)propyl]propanamide
CID 46373785
N-benzyl-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide
CID 6624459
3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 46373703
methyl 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate
CID 132541266
3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-(1-phenylethyl)propanamide
CID 126458708
N-(3-ethoxypropyl)-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
CID 20968523

Frequently Asked Questions

What is the IUPAC name of N-(3-butylsulfanylpropyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide?
The IUPAC name of N-(3-butylsulfanylpropyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide (CID 46372560) is N-(3-butylsulfanylpropyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide.
What is the SMILES notation for N-(3-butylsulfanylpropyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide?
The canonical SMILES for N-(3-butylsulfanylpropyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide is CCCCSCCCNC(=O)CCN1N=C(c2ccc(C)cc2)CCC1=O.
What is the InChIKey of N-(3-butylsulfanylpropyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide?
The InChIKey is XUNJIGAQQAAEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2S/c1-3-4-15-27-16-5-13-22-20(25)12-14-24-21(26)11-10-19(23-24)18-8-6-17(2)7-9-18/h6-9H,3-5,10-16H2,1-2H3,(H,22,25).
What are the key properties of N-(3-butylsulfanylpropyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide?
N-(3-butylsulfanylpropyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide has a molecular weight of 389.57 g/mol, XLogP of 3.75, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butylsulfanylpropyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide is sourced from PubChem (CID 46372560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).