1-(1,1-dioxothiolan-3-yl)-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-3-carboxamide

C19H22F3N3O5S — CID 42884545

IUPAC1-(1,1-dioxothiolan-3-yl)-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-3-carboxamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)C1=NN(C2CCS(=O)(=O)C2)C(=O)CC1
InChIInChI=1S/C19H22F3N3O5S/c1-2-8-30-16-5-3-12(19(20,21)22)10-15(16)23-18(27)14-4-6-17(26)25(24-14)13-7-9-31(28,29)11-13/h3,5,10,13H,2,4,6-9,11H2,1H3,(H,23,27)
InChIKeyVSWBDAPQKOTJDT-UHFFFAOYSA-N
MW461.46 g/mol
LogP2.60
Rot. Bonds6

About 1-(1,1-dioxothiolan-3-yl)-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-3-carboxamide

1-(1,1-dioxothiolan-3-yl)-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-3-carboxamide (PubChem CID 42884545) has the molecular formula C19H22F3N3O5S and a molecular weight of 461.46 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-3-carboxamide
PubChem CID42884545
Molecular FormulaC19H22F3N3O5S
Molecular Weight461.46 g/mol
Exact Mass461.12
IUPAC Name1-(1,1-dioxothiolan-3-yl)-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-3-carboxamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)C1=NN(C2CCS(=O)(=O)C2)C(=O)CC1
InChIInChI=1S/C19H22F3N3O5S/c1-2-8-30-16-5-3-12(19(20,21)22)10-15(16)23-18(27)14-4-6-17(26)25(24-14)13-7-9-31(28,29)11-13/h3,5,10,13H,2,4,6-9,11H2,1H3,(H,23,27)
InChIKeyVSWBDAPQKOTJDT-UHFFFAOYSA-N
XLogP2.60
TPSA105.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.46
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1,1-dioxothiolan-3-yl)-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,1-dioxothiolan-3-yl)-6-oxo-N-(2-propoxyphenyl)-4,5-dihydropyridazine-3-carboxamide
CID 17416602
1-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-N-[3-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-3-carboxamide
CID 8762491
N-(5-chloro-2-fluorophenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 25439081
N-[2-(4-tert-butylphenoxy)ethyl]-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 43027962
N-(2-tert-butylphenyl)-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 17490128
N-(3,5-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 17420346
1-[(3R)-1,1-dioxothiolan-3-yl]-N-[4-(4-ethoxyphenoxy)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 30278526
N-(2,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 42906742
1-(1,1-dioxothiolan-3-yl)-N-(6-methoxy-3-pyridinyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 4879009
N-(4-butylphenyl)-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 17394957
1-(1,1-dioxothiolan-3-yl)-N-[3-(2-fluorophenoxy)propyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 46452054
1-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-methyl-2-pyridinyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 25391678

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-3-carboxamide (CID 42884545) is 1-(1,1-dioxothiolan-3-yl)-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-3-carboxamide is CCCOc1ccc(C(F)(F)F)cc1NC(=O)C1=NN(C2CCS(=O)(=O)C2)C(=O)CC1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is VSWBDAPQKOTJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O5S/c1-2-8-30-16-5-3-12(19(20,21)22)10-15(16)23-18(27)14-4-6-17(26)25(24-14)13-7-9-31(28,29)11-13/h3,5,10,13H,2,4,6-9,11H2,1H3,(H,23,27).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-3-carboxamide?
1-(1,1-dioxothiolan-3-yl)-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 461.46 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 42884545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).