N-[(2S)-3-methyl-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclobutanecarboxamide

C18H23N3O2S — CID 16671435

IUPACN-[(2S)-3-methyl-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclobutanecarboxamide
SMILESCC(C)[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)C1CCC1
InChIInChI=1S/C18H23N3O2S/c1-12(2)15(19-18(23)13-5-3-6-13)11-21-17(22)9-8-14(20-21)16-7-4-10-24-16/h4,7-10,12-13,15H,3,5-6,11H2,1-2H3,(H,19,23)/t15-/m1/s1
InChIKeyIJDXQJYAHWLRTG-OAHLLOKOSA-N
MW345.47 g/mol
LogP2.91
Rot. Bonds6

About N-[(2S)-3-methyl-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclobutanecarboxamide

N-[(2S)-3-methyl-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclobutanecarboxamide (PubChem CID 16671435) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclobutanecarboxamide
PubChem CID16671435
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[(2S)-3-methyl-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclobutanecarboxamide
SMILESCC(C)[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)C1CCC1
InChIInChI=1S/C18H23N3O2S/c1-12(2)15(19-18(23)13-5-3-6-13)11-21-17(22)9-8-14(20-21)16-7-4-10-24-16/h4,7-10,12-13,15H,3,5-6,11H2,1-2H3,(H,19,23)/t15-/m1/s1
InChIKeyIJDXQJYAHWLRTG-OAHLLOKOSA-N
XLogP2.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[(2S)-3-methyl-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclobutanecarboxamide (CID 16671435) is N-[(2S)-3-methyl-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[(2S)-3-methyl-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclobutanecarboxamide is CC(C)[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)C1CCC1.
What is the InChIKey of N-[(2S)-3-methyl-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclobutanecarboxamide?
The InChIKey is IJDXQJYAHWLRTG-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12(2)15(19-18(23)13-5-3-6-13)11-21-17(22)9-8-14(20-21)16-7-4-10-24-16/h4,7-10,12-13,15H,3,5-6,11H2,1-2H3,(H,19,23)/t15-/m1/s1.
What are the key properties of N-[(2S)-3-methyl-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclobutanecarboxamide?
N-[(2S)-3-methyl-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclobutanecarboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 16671435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).