4-imidazol-1-yl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)benzamide

C18H17N3O2S — CID 84589934

IUPAC4-imidazol-1-yl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)benzamide
SMILESCC(CC(=O)c1cccs1)NC(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H17N3O2S/c1-13(11-16(22)17-3-2-10-24-17)20-18(23)14-4-6-15(7-5-14)21-9-8-19-12-21/h2-10,12-13H,11H2,1H3,(H,20,23)
InChIKeySWICOHGJYICKPT-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.33
Rot. Bonds6

About 4-imidazol-1-yl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)benzamide

4-imidazol-1-yl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)benzamide (PubChem CID 84589934) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)benzamide
PubChem CID84589934
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name4-imidazol-1-yl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)benzamide
SMILESCC(CC(=O)c1cccs1)NC(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H17N3O2S/c1-13(11-16(22)17-3-2-10-24-17)20-18(23)14-4-6-15(7-5-14)21-9-8-19-12-21/h2-10,12-13H,11H2,1H3,(H,20,23)
InChIKeySWICOHGJYICKPT-UHFFFAOYSA-N
XLogP3.33
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-imidazol-1-ylphenyl)ethyl]thiophene-2-carboxamide
CID 4787429
4-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide
CID 97240938
4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide
CID 97250958
N-[4-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 42917645
1,3,5-trimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide
CID 84589932
N-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 37195585
5-chloro-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]pyridine-2-carboxamide
CID 97330247
N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 75387926
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-iodobenzamide
CID 43003596
3-methyl-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]but-2-enamide
CID 97240896
N-[(2S)-1-(3-imidazol-1-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94814113
2-(3-imidazol-1-ylphenyl)-1-thiophen-2-ylethanone;hydrobromide
CID 173193953

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)benzamide?
The IUPAC name of 4-imidazol-1-yl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)benzamide (CID 84589934) is 4-imidazol-1-yl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)benzamide.
What is the SMILES notation for 4-imidazol-1-yl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)benzamide?
The canonical SMILES for 4-imidazol-1-yl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)benzamide is CC(CC(=O)c1cccs1)NC(=O)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 4-imidazol-1-yl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)benzamide?
The InChIKey is SWICOHGJYICKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-13(11-16(22)17-3-2-10-24-17)20-18(23)14-4-6-15(7-5-14)21-9-8-19-12-21/h2-10,12-13H,11H2,1H3,(H,20,23).
What are the key properties of 4-imidazol-1-yl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)benzamide?
4-imidazol-1-yl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)benzamide has a molecular weight of 339.42 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)benzamide is sourced from PubChem (CID 84589934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).