2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide

C20H17FN4O3S — CID 167902323

IUPAC2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
SMILESO=C(CSCC(=O)Nc1ccccc1F)Nc1cccc(-c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C20H17FN4O3S/c21-15-6-1-2-7-17(15)23-20(28)12-29-11-19(27)22-14-5-3-4-13(10-14)16-8-9-18(26)25-24-16/h1-10H,11-12H2,(H,22,27)(H,23,28)(H,25,26)
InChIKeyVXUIMSOHTJMFLU-UHFFFAOYSA-N
MW412.45 g/mol
LogP2.89
Rot. Bonds7

About 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide

2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide (PubChem CID 167902323) has the molecular formula C20H17FN4O3S and a molecular weight of 412.45 g/mol. Its IUPAC name is 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
PubChem CID167902323
Molecular FormulaC20H17FN4O3S
Molecular Weight412.45 g/mol
Exact Mass412.10
IUPAC Name2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
SMILESO=C(CSCC(=O)Nc1ccccc1F)Nc1cccc(-c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C20H17FN4O3S/c21-15-6-1-2-7-17(15)23-20(28)12-29-11-19(27)22-14-5-3-4-13(10-14)16-8-9-18(26)25-24-16/h1-10H,11-12H2,(H,22,27)(H,23,28)(H,25,26)
InChIKeyVXUIMSOHTJMFLU-UHFFFAOYSA-N
XLogP2.89
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide with MolForge

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Related Compounds

N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 49034868
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 108811605
2-(4-bromophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 49035248
2-(4-methylphenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 47086774
2-cyclopentyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 51100304
3-fluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035357
methyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 108747797
N-[6-oxo-6-[3-(6-oxo-1H-pyridazin-3-yl)anilino]hexyl]benzamide
CID 108747772
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methylsulfanylphenyl)acetamide
CID 17482942
4-oxo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-thiophen-2-ylbutanamide
CID 108747821
2,5-dichloro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035341
(2R)-2-methoxy-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-phenylpropanamide
CID 95303598

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide (CID 167902323) is 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide is O=C(CSCC(=O)Nc1ccccc1F)Nc1cccc(-c2ccc(=O)[nH]n2)c1.
What is the InChIKey of 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
The InChIKey is VXUIMSOHTJMFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3S/c21-15-6-1-2-7-17(15)23-20(28)12-29-11-19(27)22-14-5-3-4-13(10-14)16-8-9-18(26)25-24-16/h1-10H,11-12H2,(H,22,27)(H,23,28)(H,25,26).
What are the key properties of 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide has a molecular weight of 412.45 g/mol, XLogP of 2.89, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 167902323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).