N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(thiophen-2-ylmethoxy)benzamide

C22H17N3O3S — CID 49033817

IUPACN-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(thiophen-2-ylmethoxy)benzamide
SMILESO=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1cccc(OCc2cccs2)c1
InChIInChI=1S/C22H17N3O3S/c26-21-10-9-20(24-25-21)15-4-1-6-17(12-15)23-22(27)16-5-2-7-18(13-16)28-14-19-8-3-11-29-19/h1-13H,14H2,(H,23,27)(H,25,26)
InChIKeyHCLJGDIPYOOOEA-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.33
Rot. Bonds6

About N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(thiophen-2-ylmethoxy)benzamide

N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(thiophen-2-ylmethoxy)benzamide (PubChem CID 49033817) has the molecular formula C22H17N3O3S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(thiophen-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(thiophen-2-ylmethoxy)benzamide
PubChem CID49033817
Molecular FormulaC22H17N3O3S
Molecular Weight403.46 g/mol
Exact Mass403.10
IUPAC NameN-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(thiophen-2-ylmethoxy)benzamide
SMILESO=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1cccc(OCc2cccs2)c1
InChIInChI=1S/C22H17N3O3S/c26-21-10-9-20(24-25-21)15-4-1-6-17(12-15)23-22(27)16-5-2-7-18(13-16)28-14-19-8-3-11-29-19/h1-13H,14H2,(H,23,27)(H,25,26)
InChIKeyHCLJGDIPYOOOEA-UHFFFAOYSA-N
XLogP4.33
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenoxy]acetate
CID 49033446
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylmethoxybenzamide
CID 49035148
3-fluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035357
N-[3-[[3-(6-oxo-1H-pyridazin-3-yl)benzoyl]amino]phenyl]pyrimidine-2-carboxamide
CID 167918564
3,4-difluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49034784
4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035283
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,3-benzoxazole-5-carboxamide
CID 108811725
4-oxo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-thiophen-2-ylbutanamide
CID 108747821
ethyl [4-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenyl] carbonate
CID 108769827
3-(thiophen-2-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55670767
N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(thiophen-2-ylmethoxy)benzamide
CID 55956042
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 49033929

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(thiophen-2-ylmethoxy)benzamide?
The IUPAC name of N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(thiophen-2-ylmethoxy)benzamide (CID 49033817) is N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(thiophen-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(thiophen-2-ylmethoxy)benzamide?
The canonical SMILES for N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(thiophen-2-ylmethoxy)benzamide is O=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1cccc(OCc2cccs2)c1.
What is the InChIKey of N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(thiophen-2-ylmethoxy)benzamide?
The InChIKey is HCLJGDIPYOOOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3S/c26-21-10-9-20(24-25-21)15-4-1-6-17(12-15)23-22(27)16-5-2-7-18(13-16)28-14-19-8-3-11-29-19/h1-13H,14H2,(H,23,27)(H,25,26).
What are the key properties of N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(thiophen-2-ylmethoxy)benzamide?
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(thiophen-2-ylmethoxy)benzamide has a molecular weight of 403.46 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(thiophen-2-ylmethoxy)benzamide is sourced from PubChem (CID 49033817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).