3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)propanamide

C15H17N3O4S — CID 71810812

IUPAC3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)propanamide
SMILESCn1nc(CCC(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1=O
InChIInChI=1S/C15H17N3O4S/c1-18-15(20)10-6-12(17-18)5-9-14(19)16-11-3-7-13(8-4-11)23(2,21)22/h3-4,6-8,10H,5,9H2,1-2H3,(H,16,19)
InChIKeyPDOYFMDLTHWGQN-UHFFFAOYSA-N
MW335.39 g/mol
LogP0.76
Rot. Bonds5

About 3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)propanamide

3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)propanamide (PubChem CID 71810812) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)propanamide
PubChem CID71810812
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)propanamide
SMILESCn1nc(CCC(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1=O
InChIInChI=1S/C15H17N3O4S/c1-18-15(20)10-6-12(17-18)5-9-14(19)16-11-3-7-13(8-4-11)23(2,21)22/h3-4,6-8,10H,5,9H2,1-2H3,(H,16,19)
InChIKeyPDOYFMDLTHWGQN-UHFFFAOYSA-N
XLogP0.76
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-sulfamoylphenyl)propanamide
CID 71810800
N-(4-methylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51290114
3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)propanamide
CID 18195960
5-(4-methylsulfonylanilino)-5-oxopentanoic acid
CID 43397158
3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(4-methylsulfonylphenyl)propanamide
CID 30826352
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(4-methylsulfonylphenyl)propanamide
CID 9111820
(3R)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 97104627
6-amino-4,4-dimethyl-N-(4-methylsulfonylphenyl)hexanamide
CID 65293355
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-methylsulfonylphenyl)butanamide
CID 26239284
3-amino-3-methyl-N-(4-methylsulfonylphenyl)butanamide
CID 64683356
N-[3-(4-methylsulfonylanilino)-3-oxopropyl]benzamide
CID 26213288
3-chloro-N-[(4-methylsulfonylphenyl)carbamoyl]propanamide
CID 43146371

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)propanamide?
The IUPAC name of 3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)propanamide (CID 71810812) is 3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)propanamide is Cn1nc(CCC(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1=O.
What is the InChIKey of 3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)propanamide?
The InChIKey is PDOYFMDLTHWGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-18-15(20)10-6-12(17-18)5-9-14(19)16-11-3-7-13(8-4-11)23(2,21)22/h3-4,6-8,10H,5,9H2,1-2H3,(H,16,19).
What are the key properties of 3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)propanamide?
3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)propanamide has a molecular weight of 335.39 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 71810812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).