N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylthiophene-2-carboxamide

C21H15N3O2S — CID 49034810

IUPACN-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylthiophene-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1cc(-c2ccccc2)cs1
InChIInChI=1S/C21H15N3O2S/c25-20-10-9-18(23-24-20)15-7-4-8-17(11-15)22-21(26)19-12-16(13-27-19)14-5-2-1-3-6-14/h1-13H,(H,22,26)(H,24,25)
InChIKeyXZSAJMJEUXXLKY-UHFFFAOYSA-N
MW373.44 g/mol
LogP4.42
Rot. Bonds4

About N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylthiophene-2-carboxamide

N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylthiophene-2-carboxamide (PubChem CID 49034810) has the molecular formula C21H15N3O2S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylthiophene-2-carboxamide
PubChem CID49034810
Molecular FormulaC21H15N3O2S
Molecular Weight373.44 g/mol
Exact Mass373.09
IUPAC NameN-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylthiophene-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1cc(-c2ccccc2)cs1
InChIInChI=1S/C21H15N3O2S/c25-20-10-9-18(23-24-20)15-7-4-8-17(11-15)22-21(26)19-12-16(13-27-19)14-5-2-1-3-6-14/h1-13H,(H,22,26)(H,24,25)
InChIKeyXZSAJMJEUXXLKY-UHFFFAOYSA-N
XLogP4.42
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,5-dichlorophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide
CID 99292344
4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035283
3-fluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035357
methyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 108747797
3,4-difluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49034784
2,5-dichloro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035341
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylmethoxybenzamide
CID 49035148
4-oxo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-thiophen-2-ylbutanamide
CID 108747821
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 49033506
N-[3-[[3-(6-oxo-1H-pyridazin-3-yl)benzoyl]amino]phenyl]pyrimidine-2-carboxamide
CID 167918564
(2R)-2-methoxy-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-phenylpropanamide
CID 95303598
N-[6-oxo-6-[3-(6-oxo-1H-pyridazin-3-yl)anilino]hexyl]benzamide
CID 108747772

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylthiophene-2-carboxamide (CID 49034810) is N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylthiophene-2-carboxamide is O=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1cc(-c2ccccc2)cs1.
What is the InChIKey of N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylthiophene-2-carboxamide?
The InChIKey is XZSAJMJEUXXLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2S/c25-20-10-9-18(23-24-20)15-7-4-8-17(11-15)22-21(26)19-12-16(13-27-19)14-5-2-1-3-6-14/h1-13H,(H,22,26)(H,24,25).
What are the key properties of N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylthiophene-2-carboxamide?
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylthiophene-2-carboxamide has a molecular weight of 373.44 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 49034810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).