2-[3-(4-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide

C19H16F3N3O2S — CID 163440868

IUPAC2-[3-(4-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCc1csc(-c2ccc(=O)n(C(C)C(=O)Nc3ccc(C(F)(F)F)cc3)n2)c1
InChIInChI=1S/C19H16F3N3O2S/c1-11-9-16(28-10-11)15-7-8-17(26)25(24-15)12(2)18(27)23-14-5-3-13(4-6-14)19(20,21)22/h3-10,12H,1-2H3,(H,23,27)
InChIKeyAYKPZHASWNJUIL-UHFFFAOYSA-N
MW407.42 g/mol
LogP4.50
Rot. Bonds4

About 2-[3-(4-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide

2-[3-(4-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 163440868) has the molecular formula C19H16F3N3O2S and a molecular weight of 407.42 g/mol. Its IUPAC name is 2-[3-(4-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[3-(4-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID163440868
Molecular FormulaC19H16F3N3O2S
Molecular Weight407.42 g/mol
Exact Mass407.09
IUPAC Name2-[3-(4-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCc1csc(-c2ccc(=O)n(C(C)C(=O)Nc3ccc(C(F)(F)F)cc3)n2)c1
InChIInChI=1S/C19H16F3N3O2S/c1-11-9-16(28-10-11)15-7-8-17(26)25(24-15)12(2)18(27)23-14-5-3-13(4-6-14)19(20,21)22/h3-10,12H,1-2H3,(H,23,27)
InChIKeyAYKPZHASWNJUIL-UHFFFAOYSA-N
XLogP4.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.50
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
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(4-methylphenyl)acetamide
CID 3216369
2-(6-Oxo-3-phenylpyridazin-1-YL)-N-{4-[4-(thiophene-2-carbonyl)piperazin-1-YL]phenyl}acetamide
CID 3224436
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
N-({N'-[(E)-[4-(Diethylamino)phenyl]methylidene]hydrazinecarbonyl}methyl)thiophene-2-carboxamide
CID 9624139

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-[3-(4-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide (CID 163440868) is 2-[3-(4-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-[3-(4-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-[3-(4-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide is Cc1csc(-c2ccc(=O)n(C(C)C(=O)Nc3ccc(C(F)(F)F)cc3)n2)c1.
What is the InChIKey of 2-[3-(4-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is AYKPZHASWNJUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2S/c1-11-9-16(28-10-11)15-7-8-17(26)25(24-15)12(2)18(27)23-14-5-3-13(4-6-14)19(20,21)22/h3-10,12H,1-2H3,(H,23,27).
What are the key properties of 2-[3-(4-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
2-[3-(4-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 407.42 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 163440868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).