N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]thiophene-2-carboxamide

C17H15N3O2S — CID 18569609

IUPACN-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCn1nc(-c2ccccc2)ccc1=O)c1cccs1
InChIInChI=1S/C17H15N3O2S/c21-16-9-8-14(13-5-2-1-3-6-13)19-20(16)11-10-18-17(22)15-7-4-12-23-15/h1-9,12H,10-11H2,(H,18,22)
InChIKeyFROWANQENVRNOR-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.40
Rot. Bonds5

About N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]thiophene-2-carboxamide

N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]thiophene-2-carboxamide (PubChem CID 18569609) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]thiophene-2-carboxamide
PubChem CID18569609
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC NameN-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCn1nc(-c2ccccc2)ccc1=O)c1cccs1
InChIInChI=1S/C17H15N3O2S/c21-16-9-8-14(13-5-2-1-3-6-13)19-20(16)11-10-18-17(22)15-7-4-12-23-15/h1-9,12H,10-11H2,(H,18,22)
InChIKeyFROWANQENVRNOR-UHFFFAOYSA-N
XLogP2.40
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]thiophene-2-carboxamide (CID 18569609) is N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]thiophene-2-carboxamide is O=C(NCCn1nc(-c2ccccc2)ccc1=O)c1cccs1.
What is the InChIKey of N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is FROWANQENVRNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c21-16-9-8-14(13-5-2-1-3-6-13)19-20(16)11-10-18-17(22)15-7-4-12-23-15/h1-9,12H,10-11H2,(H,18,22).
What are the key properties of N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]thiophene-2-carboxamide?
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 325.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 18569609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).