N-(3-fluoro-4-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide

C17H14FN3O2S — CID 7659575

IUPACN-(3-fluoro-4-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)cc1F
InChIInChI=1S/C17H14FN3O2S/c1-11-4-5-12(9-13(11)18)19-16(22)10-21-17(23)7-6-14(20-21)15-3-2-8-24-15/h2-9H,10H2,1H3,(H,19,22)
InChIKeyNYXCGVRSUDSCDP-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.06
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide

N-(3-fluoro-4-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide (PubChem CID 7659575) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
PubChem CID7659575
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)cc1F
InChIInChI=1S/C17H14FN3O2S/c1-11-4-5-12(9-13(11)18)19-16(22)10-21-17(23)7-6-14(20-21)15-3-2-8-24-15/h2-9H,10H2,1H3,(H,19,22)
InChIKeyNYXCGVRSUDSCDP-UHFFFAOYSA-N
XLogP3.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)acetamide
CID 6499071
N-(2,3-Dimethyl-phenyl)-2-(6-oxo-3-thiophen-2-yl-6H-pyridazin-1-yl)-acetamide
CID 6499073
(E)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
CID 2423320
N-{4-[1-phenyl-5-(2-thienyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}acetamide
CID 2834907
2-(6-oxo-3-phenylpyridazin-1-yl)-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]acetamide
CID 3224436
N-(4-bromo-3,5-dimethylphenyl)-2-[6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl]acetamide
CID 6499078
N-(4-{N-[amino(oxo)acetyl]ethanehydrazonoyl}phenyl)-2-thiophenecarboxamide
CID 9658238
N-(4-Ethylphenyl)-2-methyl-5-(2-thienyl)-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 16017236
1,1-diketo-2-methyl-N-(p-tolyl)-5-(2-thienyl)-1,2,6-thiadiazine-3-carboxamide
CID 16017256
N-(4-bromophenyl)-2-[3-methyl-6-oxo-5-(thiophen-3-ylmethyl)pyridazin-1-yl]acetamide
CID 71699059
N-(4-methylphenyl)-N-(2-oxo-2-{2-[1-(2-thienyl)ethylidene]hydrazino}ethyl)methanesulfonamide
CID 9676566
(E)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-thiophen-2-ylprop-2-enamide
CID 2424168

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide (CID 7659575) is N-(3-fluoro-4-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide is Cc1ccc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The InChIKey is NYXCGVRSUDSCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c1-11-4-5-12(9-13(11)18)19-16(22)10-21-17(23)7-6-14(20-21)15-3-2-8-24-15/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
N-(3-fluoro-4-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide has a molecular weight of 343.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 7659575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).