N-(2-methylbutan-2-yl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide

C21H24N4O3S — CID 55892217

IUPACN-(2-methylbutan-2-yl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)cc1
InChIInChI=1S/C21H24N4O3S/c1-4-21(2,3)24-20(27)14-5-7-16(8-6-14)22-17(26)9-10-18-23-19(25-28-18)15-11-12-29-13-15/h5-8,11-13H,4,9-10H2,1-3H3,(H,22,26)(H,24,27)
InChIKeyGIWWMEZEWHYHDZ-UHFFFAOYSA-N
MW412.52 g/mol
LogP4.29
Rot. Bonds8

About N-(2-methylbutan-2-yl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide

N-(2-methylbutan-2-yl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide (PubChem CID 55892217) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
PubChem CID55892217
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC NameN-(2-methylbutan-2-yl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)cc1
InChIInChI=1S/C21H24N4O3S/c1-4-21(2,3)24-20(27)14-5-7-16(8-6-14)22-17(26)9-10-18-23-19(25-28-18)15-11-12-29-13-15/h5-8,11-13H,4,9-10H2,1-3H3,(H,22,26)(H,24,27)
InChIKeyGIWWMEZEWHYHDZ-UHFFFAOYSA-N
XLogP4.29
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
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N-(4-iodophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17486628
2-methyl-3-[4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]propanoic acid
CID 120540956
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CID 17485381
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CID 26689322
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2-chloro-N-(2-methylbutan-2-yl)-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
CID 60539230
N-pyridin-3-yl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 27165067
N-(2,3-dihydro-1H-inden-5-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
The IUPAC name of N-(2-methylbutan-2-yl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide (CID 55892217) is N-(2-methylbutan-2-yl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide is CCC(C)(C)NC(=O)c1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)cc1.
What is the InChIKey of N-(2-methylbutan-2-yl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
The InChIKey is GIWWMEZEWHYHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-4-21(2,3)24-20(27)14-5-7-16(8-6-14)22-17(26)9-10-18-23-19(25-28-18)15-11-12-29-13-15/h5-8,11-13H,4,9-10H2,1-3H3,(H,22,26)(H,24,27).
What are the key properties of N-(2-methylbutan-2-yl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
N-(2-methylbutan-2-yl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide has a molecular weight of 412.52 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide is sourced from PubChem (CID 55892217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).