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

C24H22N4O3S — CID 55467129

IUPACN-[(4-methylphenyl)methyl]-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)CCc2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C24H22N4O3S/c1-16-8-10-17(11-9-16)15-25-24(30)18-5-2-3-6-19(18)26-21(29)12-13-22-27-23(28-31-22)20-7-4-14-32-20/h2-11,14H,12-13,15H2,1H3,(H,25,30)(H,26,29)
InChIKeyBDJTWEKZADIBOV-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.61
Rot. Bonds8

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

N-[(4-methylphenyl)methyl]-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide (PubChem CID 55467129) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
PubChem CID55467129
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC NameN-[(4-methylphenyl)methyl]-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)CCc2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C24H22N4O3S/c1-16-8-10-17(11-9-16)15-25-24(30)18-5-2-3-6-19(18)26-21(29)12-13-22-27-23(28-31-22)20-7-4-14-32-20/h2-11,14H,12-13,15H2,1H3,(H,25,30)(H,26,29)
InChIKeyBDJTWEKZADIBOV-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 55555220
N-[2-(ethylaminomethyl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119438806
N-(2-fluoro-5-methylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 36666041
2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 55466376
2-(4-methylphenyl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide
CID 9144259
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18118907
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134012645
N-(4-phenylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9075415
N-(2-phenylsulfanylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 24655609
N-(2-amino-2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119625948
4-methyl-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 51064599
N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]benzamide
CID 55924013

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide (CID 55467129) is N-[(4-methylphenyl)methyl]-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide is Cc1ccc(CNC(=O)c2ccccc2NC(=O)CCc2nc(-c3cccs3)no2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
The InChIKey is BDJTWEKZADIBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-16-8-10-17(11-9-16)15-25-24(30)18-5-2-3-6-19(18)26-21(29)12-13-22-27-23(28-31-22)20-7-4-14-32-20/h2-11,14H,12-13,15H2,1H3,(H,25,30)(H,26,29).
What are the key properties of N-[(4-methylphenyl)methyl]-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
N-[(4-methylphenyl)methyl]-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide has a molecular weight of 446.53 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide is sourced from PubChem (CID 55467129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).