N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(4-oxothieno[2,3-d]pyridazin-5-yl)acetamide

C17H14N4O2S — CID 170196143

IUPACN-[(1S)-1-(4-cyanophenyl)ethyl]-2-(4-oxothieno[2,3-d]pyridazin-5-yl)acetamide
SMILESC[C@H](NC(=O)Cn1ncc2sccc2c1=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H14N4O2S/c1-11(13-4-2-12(8-18)3-5-13)20-16(22)10-21-17(23)14-6-7-24-15(14)9-19-21/h2-7,9,11H,10H2,1H3,(H,20,22)/t11-/m0/s1
InChIKeyVXVKNMLURMSAFK-NSHDSACASA-N
MW338.39 g/mol
LogP2.21
Rot. Bonds4

About N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(4-oxothieno[2,3-d]pyridazin-5-yl)acetamide

N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(4-oxothieno[2,3-d]pyridazin-5-yl)acetamide (PubChem CID 170196143) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(4-oxothieno[2,3-d]pyridazin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-cyanophenyl)ethyl]-2-(4-oxothieno[2,3-d]pyridazin-5-yl)acetamide
PubChem CID170196143
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC NameN-[(1S)-1-(4-cyanophenyl)ethyl]-2-(4-oxothieno[2,3-d]pyridazin-5-yl)acetamide
SMILESC[C@H](NC(=O)Cn1ncc2sccc2c1=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H14N4O2S/c1-11(13-4-2-12(8-18)3-5-13)20-16(22)10-21-17(23)14-6-7-24-15(14)9-19-21/h2-7,9,11H,10H2,1H3,(H,20,22)/t11-/m0/s1
InChIKeyVXVKNMLURMSAFK-NSHDSACASA-N
XLogP2.21
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(4-oxothieno[2,3-d]pyridazin-5-yl)acetamide?
The IUPAC name of N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(4-oxothieno[2,3-d]pyridazin-5-yl)acetamide (CID 170196143) is N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(4-oxothieno[2,3-d]pyridazin-5-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(4-oxothieno[2,3-d]pyridazin-5-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(4-oxothieno[2,3-d]pyridazin-5-yl)acetamide is C[C@H](NC(=O)Cn1ncc2sccc2c1=O)c1ccc(C#N)cc1.
What is the InChIKey of N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(4-oxothieno[2,3-d]pyridazin-5-yl)acetamide?
The InChIKey is VXVKNMLURMSAFK-NSHDSACASA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-11(13-4-2-12(8-18)3-5-13)20-16(22)10-21-17(23)14-6-7-24-15(14)9-19-21/h2-7,9,11H,10H2,1H3,(H,20,22)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(4-oxothieno[2,3-d]pyridazin-5-yl)acetamide?
N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(4-oxothieno[2,3-d]pyridazin-5-yl)acetamide has a molecular weight of 338.39 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(4-oxothieno[2,3-d]pyridazin-5-yl)acetamide is sourced from PubChem (CID 170196143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).