4-(4-methylperoxysulfanylphenoxy)-N-(1-methylpyrazol-3-yl)-1-benzofuran-6-carboxamide

C20H17N3O5S — CID 59560300

IUPAC4-(4-methylperoxysulfanylphenoxy)-N-(1-methylpyrazol-3-yl)-1-benzofuran-6-carboxamide
SMILESCOOSc1ccc(Oc2cc(C(=O)Nc3ccn(C)n3)cc3occc23)cc1
InChIInChI=1S/C20H17N3O5S/c1-23-9-7-19(22-23)21-20(24)13-11-17-16(8-10-26-17)18(12-13)27-14-3-5-15(6-4-14)29-28-25-2/h3-12H,1-2H3,(H,21,22,24)
InChIKeyJKYVXLGZXDYKNU-UHFFFAOYSA-N
MW411.44 g/mol
LogP4.80
Rot. Bonds7

About 4-(4-methylperoxysulfanylphenoxy)-N-(1-methylpyrazol-3-yl)-1-benzofuran-6-carboxamide

4-(4-methylperoxysulfanylphenoxy)-N-(1-methylpyrazol-3-yl)-1-benzofuran-6-carboxamide (PubChem CID 59560300) has the molecular formula C20H17N3O5S and a molecular weight of 411.44 g/mol. Its IUPAC name is 4-(4-methylperoxysulfanylphenoxy)-N-(1-methylpyrazol-3-yl)-1-benzofuran-6-carboxamide.

Molecular Properties

Compound Name4-(4-methylperoxysulfanylphenoxy)-N-(1-methylpyrazol-3-yl)-1-benzofuran-6-carboxamide
PubChem CID59560300
Molecular FormulaC20H17N3O5S
Molecular Weight411.44 g/mol
Exact Mass411.09
IUPAC Name4-(4-methylperoxysulfanylphenoxy)-N-(1-methylpyrazol-3-yl)-1-benzofuran-6-carboxamide
SMILESCOOSc1ccc(Oc2cc(C(=O)Nc3ccn(C)n3)cc3occc23)cc1
InChIInChI=1S/C20H17N3O5S/c1-23-9-7-19(22-23)21-20(24)13-11-17-16(8-10-26-17)18(12-13)27-14-3-5-15(6-4-14)29-28-25-2/h3-12H,1-2H3,(H,21,22,24)
InChIKeyJKYVXLGZXDYKNU-UHFFFAOYSA-N
XLogP4.80
TPSA87.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze 4-(4-methylperoxysulfanylphenoxy)-N-(1-methylpyrazol-3-yl)-1-benzofuran-6-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

7-(4-methylperoxysulfanylphenoxy)-N-(1-methylpyrazol-3-yl)-1-benzothiophene-5-carboxamide
CID 59560410
2-[(2-methylimidazol-1-yl)methyl]-4-(4-methylperoxysulfanylphenoxy)-N-(5-methyl-2-pyridinyl)-1-benzofuran-6-carboxamide
CID 59559845
2-(difluoromethyl)-N-(1-methylpyrazol-3-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide
CID 66756511
3-hydroxy-2-(2-methoxyethyl)-7-(4-methylperoxysulfanylphenoxy)-N-(5-methyl-2-pyridinyl)isoindole-5-carboxamide
CID 90721975
2-methyl-7-(4-methylperoxysulfanylphenoxy)-N-(5-methyl-2-pyridinyl)-1,3-benzoxazole-5-carboxamide
CID 59560206
N-(1-methylpyrazol-3-yl)-3-phenoxybenzamide
CID 7614445
5-[[2,2-dimethyl-6-[(1-methylpyrazol-3-yl)carbamoyl]-3H-1-benzofuran-4-yl]oxy]-N-methylpyridine-2-carboxamide
CID 59559901
4-[4-(dimethylcarbamoyl)-3-fluorophenoxy]-N-(1-methylpyrazol-3-yl)-1-benzothiophene-6-carboxamide
CID 59560107
5-methoxy-3-methyl-N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide
CID 8810753
4-(difluoromethylsulfanyl)-N-(1-methylpyrazol-3-yl)benzamide
CID 18152749
3-amino-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide
CID 60808969
3-amino-6-methoxy-N-(1-methylpyrazol-3-yl)-1-benzothiophene-2-carboxamide
CID 81301403

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylperoxysulfanylphenoxy)-N-(1-methylpyrazol-3-yl)-1-benzofuran-6-carboxamide?
The IUPAC name of 4-(4-methylperoxysulfanylphenoxy)-N-(1-methylpyrazol-3-yl)-1-benzofuran-6-carboxamide (CID 59560300) is 4-(4-methylperoxysulfanylphenoxy)-N-(1-methylpyrazol-3-yl)-1-benzofuran-6-carboxamide.
What is the SMILES notation for 4-(4-methylperoxysulfanylphenoxy)-N-(1-methylpyrazol-3-yl)-1-benzofuran-6-carboxamide?
The canonical SMILES for 4-(4-methylperoxysulfanylphenoxy)-N-(1-methylpyrazol-3-yl)-1-benzofuran-6-carboxamide is COOSc1ccc(Oc2cc(C(=O)Nc3ccn(C)n3)cc3occc23)cc1.
What is the InChIKey of 4-(4-methylperoxysulfanylphenoxy)-N-(1-methylpyrazol-3-yl)-1-benzofuran-6-carboxamide?
The InChIKey is JKYVXLGZXDYKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5S/c1-23-9-7-19(22-23)21-20(24)13-11-17-16(8-10-26-17)18(12-13)27-14-3-5-15(6-4-14)29-28-25-2/h3-12H,1-2H3,(H,21,22,24).
What are the key properties of 4-(4-methylperoxysulfanylphenoxy)-N-(1-methylpyrazol-3-yl)-1-benzofuran-6-carboxamide?
4-(4-methylperoxysulfanylphenoxy)-N-(1-methylpyrazol-3-yl)-1-benzofuran-6-carboxamide has a molecular weight of 411.44 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylperoxysulfanylphenoxy)-N-(1-methylpyrazol-3-yl)-1-benzofuran-6-carboxamide is sourced from PubChem (CID 59560300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).