N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide

C19H15N3O3S — CID 121034526

IUPACN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCn1nc(-c2cccs2)ccc1=O)c1cc2ccccc2o1
InChIInChI=1S/C19H15N3O3S/c23-18-8-7-14(17-6-3-11-26-17)21-22(18)10-9-20-19(24)16-12-13-4-1-2-5-15(13)25-16/h1-8,11-12H,9-10H2,(H,20,24)
InChIKeyHSBJNTDBHHAGBS-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.15
Rot. Bonds5

About N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide

N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 121034526) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID121034526
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC NameN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCn1nc(-c2cccs2)ccc1=O)c1cc2ccccc2o1
InChIInChI=1S/C19H15N3O3S/c23-18-8-7-14(17-6-3-11-26-17)21-22(18)10-9-20-19(24)16-12-13-4-1-2-5-15(13)25-16/h1-8,11-12H,9-10H2,(H,20,24)
InChIKeyHSBJNTDBHHAGBS-UHFFFAOYSA-N
XLogP3.15
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]naphthalene-1-carboxamide
CID 16905679
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
CID 121034554
3-fluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
CID 16905666
2,6-dimethoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
CID 16905728
2-(3-methylphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
CID 16905716
2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
CID 121052126
3-methoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
CID 16905657
7-methoxy-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 121169592
N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 71797167
3-(2-methoxyphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 121034572
2-(4-methylphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propanamide
CID 16675150
(2R)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]oxolane-2-carboxamide
CID 95807296

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide (CID 121034526) is N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide is O=C(NCCn1nc(-c2cccs2)ccc1=O)c1cc2ccccc2o1.
What is the InChIKey of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is HSBJNTDBHHAGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c23-18-8-7-14(17-6-3-11-26-17)21-22(18)10-9-20-19(24)16-12-13-4-1-2-5-15(13)25-16/h1-8,11-12H,9-10H2,(H,20,24).
What are the key properties of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide?
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 121034526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).