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

C24H22N4O3S — CID 55693673

IUPACN-[3-[1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]ethyl]phenyl]benzamide
SMILESCC(NC(=O)CCc1nc(-c2ccsc2)no1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C24H22N4O3S/c1-16(18-8-5-9-20(14-18)26-24(30)17-6-3-2-4-7-17)25-21(29)10-11-22-27-23(28-31-22)19-12-13-32-15-19/h2-9,12-16H,10-11H2,1H3,(H,25,29)(H,26,30)
InChIKeyGJJILAOQRFPXIM-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.86
Rot. Bonds8

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

N-[3-[1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]ethyl]phenyl]benzamide (PubChem CID 55693673) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[3-[1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]ethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]ethyl]phenyl]benzamide
PubChem CID55693673
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC NameN-[3-[1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]ethyl]phenyl]benzamide
SMILESCC(NC(=O)CCc1nc(-c2ccsc2)no1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C24H22N4O3S/c1-16(18-8-5-9-20(14-18)26-24(30)17-6-3-2-4-7-17)25-21(29)10-11-22-27-23(28-31-22)19-12-13-32-15-19/h2-9,12-16H,10-11H2,1H3,(H,25,29)(H,26,30)
InChIKeyGJJILAOQRFPXIM-UHFFFAOYSA-N
XLogP4.86
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[1-(3-thiophen-3-ylpropanoylamino)ethyl]phenyl]benzamide
CID 46465115
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 24549306
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9181339
methyl 2-[[3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoyl]amino]acetate
CID 55848093
N-(3-methylsulfonylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9072654
N-(4-methoxyphenyl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 26688697
N-(pyridin-2-ylmethyl)-3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 55783491
2-methyl-3-[4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]propanoic acid
CID 120540956
N-(6-methylheptan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134044538
N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55806841
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 100759256
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 27660244

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]ethyl]phenyl]benzamide?
The IUPAC name of N-[3-[1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]ethyl]phenyl]benzamide (CID 55693673) is N-[3-[1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]ethyl]phenyl]benzamide.
What is the SMILES notation for N-[3-[1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]ethyl]phenyl]benzamide?
The canonical SMILES for N-[3-[1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]ethyl]phenyl]benzamide is CC(NC(=O)CCc1nc(-c2ccsc2)no1)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]ethyl]phenyl]benzamide?
The InChIKey is GJJILAOQRFPXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-16(18-8-5-9-20(14-18)26-24(30)17-6-3-2-4-7-17)25-21(29)10-11-22-27-23(28-31-22)19-12-13-32-15-19/h2-9,12-16H,10-11H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-[3-[1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]ethyl]phenyl]benzamide?
N-[3-[1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]ethyl]phenyl]benzamide has a molecular weight of 446.53 g/mol, XLogP of 4.86, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]ethyl]phenyl]benzamide is sourced from PubChem (CID 55693673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).