N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]thiophene-2-carboxamide

C17H17N3O2S2 — CID 16671429

IUPACN-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]thiophene-2-carboxamide
SMILESCC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)c1cccs1
InChIInChI=1S/C17H17N3O2S2/c1-2-12(18-17(22)15-6-4-10-24-15)11-20-16(21)8-7-13(19-20)14-5-3-9-23-14/h3-10,12H,2,11H2,1H3,(H,18,22)/t12-/m1/s1
InChIKeyANTVTRUMJLKPKE-GFCCVEGCSA-N
MW359.48 g/mol
LogP3.24
Rot. Bonds6

About N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]thiophene-2-carboxamide

N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]thiophene-2-carboxamide (PubChem CID 16671429) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]thiophene-2-carboxamide
PubChem CID16671429
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC NameN-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]thiophene-2-carboxamide
SMILESCC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)c1cccs1
InChIInChI=1S/C17H17N3O2S2/c1-2-12(18-17(22)15-6-4-10-24-15)11-20-16(21)8-7-13(19-20)14-5-3-9-23-14/h3-10,12H,2,11H2,1H3,(H,18,22)/t12-/m1/s1
InChIKeyANTVTRUMJLKPKE-GFCCVEGCSA-N
XLogP3.24
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 3094072
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CID 45248019
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CID 110223057
CID 110223057
CID 53041204
CID 53041204
CID 53041206
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CID 2951847
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CID 7092416
CID 7092416

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]thiophene-2-carboxamide (CID 16671429) is N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]thiophene-2-carboxamide is CC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)c1cccs1.
What is the InChIKey of N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]thiophene-2-carboxamide?
The InChIKey is ANTVTRUMJLKPKE-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-2-12(18-17(22)15-6-4-10-24-15)11-20-16(21)8-7-13(19-20)14-5-3-9-23-14/h3-10,12H,2,11H2,1H3,(H,18,22)/t12-/m1/s1.
What are the key properties of N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]thiophene-2-carboxamide?
N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]thiophene-2-carboxamide has a molecular weight of 359.48 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 16671429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).