N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-2-thiophen-2-ylacetamide

C18H23N3O2S — CID 16671550

IUPACN-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-2-thiophen-2-ylacetamide
SMILESCC(C)[C@@H](Cn1nc(C2CC2)ccc1=O)NC(=O)Cc1cccs1
InChIInChI=1S/C18H23N3O2S/c1-12(2)16(19-17(22)10-14-4-3-9-24-14)11-21-18(23)8-7-15(20-21)13-5-6-13/h3-4,7-9,12-13,16H,5-6,10-11H2,1-2H3,(H,19,22)/t16-/m1/s1
InChIKeyKIIDTZUCQMAEPH-MRXNPFEDSA-N
MW345.47 g/mol
LogP2.57
Rot. Bonds7

About N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-2-thiophen-2-ylacetamide

N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 16671550) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-2-thiophen-2-ylacetamide
PubChem CID16671550
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-2-thiophen-2-ylacetamide
SMILESCC(C)[C@@H](Cn1nc(C2CC2)ccc1=O)NC(=O)Cc1cccs1
InChIInChI=1S/C18H23N3O2S/c1-12(2)16(19-17(22)10-14-4-3-9-24-14)11-21-18(23)8-7-15(20-21)13-5-6-13/h3-4,7-9,12-13,16H,5-6,10-11H2,1-2H3,(H,19,22)/t16-/m1/s1
InChIKeyKIIDTZUCQMAEPH-MRXNPFEDSA-N
XLogP2.57
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-2-thiophen-2-ylacetamide (CID 16671550) is N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-2-thiophen-2-ylacetamide is CC(C)[C@@H](Cn1nc(C2CC2)ccc1=O)NC(=O)Cc1cccs1.
What is the InChIKey of N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is KIIDTZUCQMAEPH-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12(2)16(19-17(22)10-14-4-3-9-24-14)11-21-18(23)8-7-15(20-21)13-5-6-13/h3-4,7-9,12-13,16H,5-6,10-11H2,1-2H3,(H,19,22)/t16-/m1/s1.
What are the key properties of N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-2-thiophen-2-ylacetamide?
N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-2-thiophen-2-ylacetamide has a molecular weight of 345.47 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 16671550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).