N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[methyl(methylsulfonyl)amino]acetamide

C16H19FN4O4S — CID 121033510

IUPACN-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCCn1nc(-c2ccc(F)cc2)ccc1=O)S(C)(=O)=O
InChIInChI=1S/C16H19FN4O4S/c1-20(26(2,24)25)11-15(22)18-9-10-21-16(23)8-7-14(19-21)12-3-5-13(17)6-4-12/h3-8H,9-11H2,1-2H3,(H,18,22)
InChIKeyRLCPHMAUJWDMKI-UHFFFAOYSA-N
MW382.42 g/mol
LogP0.06
Rot. Bonds7

About N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[methyl(methylsulfonyl)amino]acetamide

N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 121033510) has the molecular formula C16H19FN4O4S and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[methyl(methylsulfonyl)amino]acetamide
PubChem CID121033510
Molecular FormulaC16H19FN4O4S
Molecular Weight382.42 g/mol
Exact Mass382.11
IUPAC NameN-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCCn1nc(-c2ccc(F)cc2)ccc1=O)S(C)(=O)=O
InChIInChI=1S/C16H19FN4O4S/c1-20(26(2,24)25)11-15(22)18-9-10-21-16(23)8-7-14(19-21)12-3-5-13(17)6-4-12/h3-8H,9-11H2,1-2H3,(H,18,22)
InChIKeyRLCPHMAUJWDMKI-UHFFFAOYSA-N
XLogP0.06
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide
CID 41241395
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121050978
2-(1,3-dioxoisoindol-2-yl)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121033501
2-(4-fluorophenyl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 18569662
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenyl)acetamide
CID 18569696
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
CID 121063880
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90516282
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121051603
4-fluoro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 18569804
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101299
N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]-2-phenoxyacetamide
CID 42138740
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 121033466

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[methyl(methylsulfonyl)amino]acetamide (CID 121033510) is N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[methyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[methyl(methylsulfonyl)amino]acetamide is CN(CC(=O)NCCn1nc(-c2ccc(F)cc2)ccc1=O)S(C)(=O)=O.
What is the InChIKey of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The InChIKey is RLCPHMAUJWDMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O4S/c1-20(26(2,24)25)11-15(22)18-9-10-21-16(23)8-7-14(19-21)12-3-5-13(17)6-4-12/h3-8H,9-11H2,1-2H3,(H,18,22).
What are the key properties of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[methyl(methylsulfonyl)amino]acetamide?
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 382.42 g/mol, XLogP of 0.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 121033510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).