2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide

C16H19N3O4S — CID 53073514

IUPAC2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1ccc(S(=O)(=O)c2ccc(=O)n(CC(=O)NC(C)C)n2)cc1
InChIInChI=1S/C16H19N3O4S/c1-11(2)17-14(20)10-19-16(21)9-8-15(18-19)24(22,23)13-6-4-12(3)5-7-13/h4-9,11H,10H2,1-3H3,(H,17,20)
InChIKeyNPDVWGGJWJBFBJ-UHFFFAOYSA-N
MW349.41 g/mol
LogP0.91
Rot. Bonds5

About 2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide

2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 53073514) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
PubChem CID53073514
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1ccc(S(=O)(=O)c2ccc(=O)n(CC(=O)NC(C)C)n2)cc1
InChIInChI=1S/C16H19N3O4S/c1-11(2)17-14(20)10-19-16(21)9-8-15(18-19)24(22,23)13-6-4-12(3)5-7-13/h4-9,11H,10H2,1-3H3,(H,17,20)
InChIKeyNPDVWGGJWJBFBJ-UHFFFAOYSA-N
XLogP0.91
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 53073513
2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-[(2S)-butan-2-yl]acetamide
CID 95071817
N-(3-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide
CID 53073682
N-(2-methoxy-5-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide
CID 53073644
N-(2,4-dimethoxyphenyl)-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 53073490
N-(2-methoxy-5-methylphenyl)-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 53073533
N-[2-(4-chlorophenyl)ethyl]-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide
CID 53073676
N-[(2-chlorophenyl)methyl]-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 53073562
2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)sulfonylpyridazin-3-one
CID 53073512
N-(3-acetylphenyl)-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 53073446
2-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-6-(4-methylphenyl)sulfonylpyridazin-3-one
CID 83277239
2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 53073417

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide (CID 53073514) is 2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide is Cc1ccc(S(=O)(=O)c2ccc(=O)n(CC(=O)NC(C)C)n2)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is NPDVWGGJWJBFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-11(2)17-14(20)10-19-16(21)9-8-15(18-19)24(22,23)13-6-4-12(3)5-7-13/h4-9,11H,10H2,1-3H3,(H,17,20).
What are the key properties of 2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide?
2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 349.41 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 53073514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).