5-(3,5-dichlorophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide

C21H13Cl2N3O2S — CID 99292344

IUPAC5-(3,5-dichlorophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1ccc(-c2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C21H13Cl2N3O2S/c22-14-8-13(9-15(23)11-14)18-5-6-19(29-18)21(28)24-16-3-1-2-12(10-16)17-4-7-20(27)26-25-17/h1-11H,(H,24,28)(H,26,27)
InChIKeyARROGLNADJEVFQ-UHFFFAOYSA-N
MW442.33 g/mol
LogP5.72
Rot. Bonds4

About 5-(3,5-dichlorophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide

5-(3,5-dichlorophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide (PubChem CID 99292344) has the molecular formula C21H13Cl2N3O2S and a molecular weight of 442.33 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide
PubChem CID99292344
Molecular FormulaC21H13Cl2N3O2S
Molecular Weight442.33 g/mol
Exact Mass441.01
IUPAC Name5-(3,5-dichlorophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1ccc(-c2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C21H13Cl2N3O2S/c22-14-8-13(9-15(23)11-14)18-5-6-19(29-18)21(28)24-16-3-1-2-12(10-16)17-4-7-20(27)26-25-17/h1-11H,(H,24,28)(H,26,27)
InChIKeyARROGLNADJEVFQ-UHFFFAOYSA-N
XLogP5.72
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.33
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-phenylthiophene-2-carboxamide
CID 49034810
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
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
N,5-diphenylthiophene-2-carboxamide
CID 3746437
N-[3-[[3-(6-oxo-1H-pyridazin-3-yl)benzoyl]amino]phenyl]pyrimidine-2-carboxamide
CID 167918564
2-(4-methylphenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 47086774
N-(4-chlorophenyl)-5-pyridin-4-ylthiophene-2-carboxamide
CID 11493386
5-chloro-N-(3-pyridin-2-ylphenyl)thiophene-2-carboxamide
CID 142392244
4-oxo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-thiophen-2-ylbutanamide
CID 108747821

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-(3,5-dichlorophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide (CID 99292344) is 5-(3,5-dichlorophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(3,5-dichlorophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide is O=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1ccc(-c2cc(Cl)cc(Cl)c2)s1.
What is the InChIKey of 5-(3,5-dichlorophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is ARROGLNADJEVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2N3O2S/c22-14-8-13(9-15(23)11-14)18-5-6-19(29-18)21(28)24-16-3-1-2-12(10-16)17-4-7-20(27)26-25-17/h1-11H,(H,24,28)(H,26,27).
What are the key properties of 5-(3,5-dichlorophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide?
5-(3,5-dichlorophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 442.33 g/mol, XLogP of 5.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 99292344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).