N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide

C24H23N3O2S — CID 83288856

IUPACN-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2noc(CCN(CCc3ccccc3)C(=O)c3cccs3)n2)cc1
InChIInChI=1S/C24H23N3O2S/c1-18-9-11-20(12-10-18)23-25-22(29-26-23)14-16-27(24(28)21-8-5-17-30-21)15-13-19-6-3-2-4-7-19/h2-12,17H,13-16H2,1H3
InChIKeyUZFNORYWYGOREW-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.03
Rot. Bonds8

About N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide

N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide (PubChem CID 83288856) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide
PubChem CID83288856
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC NameN-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2noc(CCN(CCc3ccccc3)C(=O)c3cccs3)n2)cc1
InChIInChI=1S/C24H23N3O2S/c1-18-9-11-20(12-10-18)23-25-22(29-26-23)14-16-27(24(28)21-8-5-17-30-21)15-13-19-6-3-2-4-7-19/h2-12,17H,13-16H2,1H3
InChIKeyUZFNORYWYGOREW-UHFFFAOYSA-N
XLogP5.03
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 83288859
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide
CID 2231249
3-methyl-N-(2-phenylethyl)-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 83280014
4-methyl-N-(2-methylpropyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 42808968
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethylthiophene-2-carboxamide
CID 6463980
3-fluoro-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-phenylethyl)benzamide
CID 83285272
2-chloro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-methylpropyl)benzamide
CID 83288780
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylthiophene-2-carboxamide
CID 83280374
N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-phenylethyl)-2-phenylmethoxyacetamide
CID 83283230
N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-nitro-N-(2-phenylethyl)benzamide
CID 83286824
N-benzyl-2-chloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 83290453
[2-hydroxy-3-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl-(2-phenylethyl)amino]propyl] butanoate
CID 42838949

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide?
The IUPAC name of N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide (CID 83288856) is N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide is Cc1ccc(-c2noc(CCN(CCc3ccccc3)C(=O)c3cccs3)n2)cc1.
What is the InChIKey of N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide?
The InChIKey is UZFNORYWYGOREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-18-9-11-20(12-10-18)23-25-22(29-26-23)14-16-27(24(28)21-8-5-17-30-21)15-13-19-6-3-2-4-7-19/h2-12,17H,13-16H2,1H3.
What are the key properties of N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide?
N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 83288856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).