N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide

C26H19N3O2S — CID 6403492

IUPACN-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide
SMILESCc1ccc(-c2nnc(Oc3ccc(NC(=O)c4cccs4)cc3)c3ccccc23)cc1
InChIInChI=1S/C26H19N3O2S/c1-17-8-10-18(11-9-17)24-21-5-2-3-6-22(21)26(29-28-24)31-20-14-12-19(13-15-20)27-25(30)23-7-4-16-32-23/h2-16H,1H3,(H,27,30)
InChIKeyASXIKFWVHATRDB-UHFFFAOYSA-N
MW437.52 g/mol
LogP6.71
Rot. Bonds5

About N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide

N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide (PubChem CID 6403492) has the molecular formula C26H19N3O2S and a molecular weight of 437.52 g/mol. Its IUPAC name is N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide
PubChem CID6403492
Molecular FormulaC26H19N3O2S
Molecular Weight437.52 g/mol
Exact Mass437.12
IUPAC NameN-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide
SMILESCc1ccc(-c2nnc(Oc3ccc(NC(=O)c4cccs4)cc3)c3ccccc23)cc1
InChIInChI=1S/C26H19N3O2S/c1-17-8-10-18(11-9-17)24-21-5-2-3-6-22(21)26(29-28-24)31-20-14-12-19(13-15-20)27-25(30)23-7-4-16-32-23/h2-16H,1H3,(H,27,30)
InChIKeyASXIKFWVHATRDB-UHFFFAOYSA-N
XLogP6.71
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.52
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-phenylphthalazin-1-yl)oxyphenyl]benzamide
CID 2902544
N-(4-{[4-(4-methylphenyl)phthalazin-1-yl]oxy}phenyl)benzamide
CID 6402455
N-[3-(6-ethoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide
CID 7422527
N-[3-(6-methoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide
CID 7593509
2-methoxy-N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]benzamide
CID 6409422
N-(4-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
CID 7580574
N-(5-(6-methoxypyridazin-3-yl)-2-methylphenyl)thiophene-2-carboxamide
CID 42109580
N-[5-(6-ethoxy-3-pyridazinyl)-2-tolyl]-2-thenamide
CID 42109595
N-[4-[4-(4-fluorophenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide
CID 2360779
N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]thiophene-2-carboxamide
CID 2946303
N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]thiophene-2-carboxamide
CID 2951569
N-(4-{[4-(4-methylphenyl)phthalazin-1-yl]oxy}phenyl)acetamide
CID 6404176

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide (CID 6403492) is N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide is Cc1ccc(-c2nnc(Oc3ccc(NC(=O)c4cccs4)cc3)c3ccccc23)cc1.
What is the InChIKey of N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide?
The InChIKey is ASXIKFWVHATRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O2S/c1-17-8-10-18(11-9-17)24-21-5-2-3-6-22(21)26(29-28-24)31-20-14-12-19(13-15-20)27-25(30)23-7-4-16-32-23/h2-16H,1H3,(H,27,30).
What are the key properties of N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide?
N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 6.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 6403492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).