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

C23H20N4O4S — CID 26688697

IUPACN-(4-methoxyphenyl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)CCc3nc(-c4ccsc4)no3)cc2)cc1
InChIInChI=1S/C23H20N4O4S/c1-30-19-8-6-18(7-9-19)25-23(29)15-2-4-17(5-3-15)24-20(28)10-11-21-26-22(27-31-21)16-12-13-32-14-16/h2-9,12-14H,10-11H2,1H3,(H,24,28)(H,25,29)
InChIKeyWCYJWFPMMNVJHV-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.63
Rot. Bonds8

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

N-(4-methoxyphenyl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide (PubChem CID 26688697) has the molecular formula C23H20N4O4S and a molecular weight of 448.50 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
PubChem CID26688697
Molecular FormulaC23H20N4O4S
Molecular Weight448.50 g/mol
Exact Mass448.12
IUPAC NameN-(4-methoxyphenyl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)CCc3nc(-c4ccsc4)no3)cc2)cc1
InChIInChI=1S/C23H20N4O4S/c1-30-19-8-6-18(7-9-19)25-23(29)15-2-4-17(5-3-15)24-20(28)10-11-21-26-22(27-31-21)16-12-13-32-14-16/h2-9,12-14H,10-11H2,1H3,(H,24,28)(H,25,29)
InChIKeyWCYJWFPMMNVJHV-UHFFFAOYSA-N
XLogP4.63
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methylbutan-2-yl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 55892217
N-(4-iodophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17486628
3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26689827
4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 60546123
N-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3422358
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)propanamide
CID 100764143
N-[6-(4-methylphenoxy)-3-pyridinyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55787626
2-methyl-3-[4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]propanoic acid
CID 120540956
N-(4-pyrrolidin-1-ylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17485381
N-(4-morpholin-4-ylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26585016
N-[4-(cyanomethyl)phenyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 134012132
methyl 2-[[3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoyl]amino]acetate
CID 55848093

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide (CID 26688697) is N-(4-methoxyphenyl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide is COc1ccc(NC(=O)c2ccc(NC(=O)CCc3nc(-c4ccsc4)no3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
The InChIKey is WCYJWFPMMNVJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4S/c1-30-19-8-6-18(7-9-19)25-23(29)15-2-4-17(5-3-15)24-20(28)10-11-21-26-22(27-31-21)16-12-13-32-14-16/h2-9,12-14H,10-11H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-(4-methoxyphenyl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
N-(4-methoxyphenyl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide has a molecular weight of 448.50 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide is sourced from PubChem (CID 26688697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).