4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide

C17H15N3O3S — CID 97250958

IUPAC4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide
SMILESC[C@@H](CC(=O)c1cccs1)NC(=O)c1ccc(-c2ncon2)cc1
InChIInChI=1S/C17H15N3O3S/c1-11(9-14(21)15-3-2-8-24-15)19-17(22)13-6-4-12(5-7-13)16-18-10-23-20-16/h2-8,10-11H,9H2,1H3,(H,19,22)/t11-/m0/s1
InChIKeyNCRDQIVGMGQSSB-NSHDSACASA-N
MW341.39 g/mol
LogP3.19
Rot. Bonds6

About 4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide

4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide (PubChem CID 97250958) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide.

Molecular Properties

Compound Name4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide
PubChem CID97250958
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide
SMILESC[C@@H](CC(=O)c1cccs1)NC(=O)c1ccc(-c2ncon2)cc1
InChIInChI=1S/C17H15N3O3S/c1-11(9-14(21)15-3-2-8-24-15)19-17(22)13-6-4-12(5-7-13)16-18-10-23-20-16/h2-8,10-11H,9H2,1H3,(H,19,22)/t11-/m0/s1
InChIKeyNCRDQIVGMGQSSB-NSHDSACASA-N
XLogP3.19
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide with MolForge

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Related Compounds

4-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide
CID 97240938
N-[(2R)-1-methoxypropan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 154835530
4-imidazol-1-yl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)benzamide
CID 84589934
N-[(2R)-1-(dipropylamino)propan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 162647562
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
(2R)-2-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]propanamide
CID 97240926
1,3,5-trimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide
CID 84589932
3-methyl-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]but-2-enamide
CID 97240896
N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride
CID 119629349
6-methyl-2-oxo-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]-1H-pyridine-3-carboxamide
CID 97240890
N-(1-hydroxy-1-phenylpentan-2-yl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 166220419

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide?
The IUPAC name of 4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide (CID 97250958) is 4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide.
What is the SMILES notation for 4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide?
The canonical SMILES for 4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide is C[C@@H](CC(=O)c1cccs1)NC(=O)c1ccc(-c2ncon2)cc1.
What is the InChIKey of 4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide?
The InChIKey is NCRDQIVGMGQSSB-NSHDSACASA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-11(9-14(21)15-3-2-8-24-15)19-17(22)13-6-4-12(5-7-13)16-18-10-23-20-16/h2-8,10-11H,9H2,1H3,(H,19,22)/t11-/m0/s1.
What are the key properties of 4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide?
4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide has a molecular weight of 341.39 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide is sourced from PubChem (CID 97250958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).