2-(3,5-dimethoxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]acetamide

C23H21N3O4S — CID 53163730

IUPAC2-(3,5-dimethoxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]acetamide
SMILESCOc1cc(CC(=O)Nc2ccsc2-c2nc(-c3ccc(C)cc3)no2)cc(OC)c1
InChIInChI=1S/C23H21N3O4S/c1-14-4-6-16(7-5-14)22-25-23(30-26-22)21-19(8-9-31-21)24-20(27)12-15-10-17(28-2)13-18(11-15)29-3/h4-11,13H,12H2,1-3H3,(H,24,27)
InChIKeyKAGFYBYUOLLHEW-UHFFFAOYSA-N
MW435.51 g/mol
LogP4.97
Rot. Bonds7

About 2-(3,5-dimethoxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]acetamide

2-(3,5-dimethoxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]acetamide (PubChem CID 53163730) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]acetamide
PubChem CID53163730
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC Name2-(3,5-dimethoxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]acetamide
SMILESCOc1cc(CC(=O)Nc2ccsc2-c2nc(-c3ccc(C)cc3)no2)cc(OC)c1
InChIInChI=1S/C23H21N3O4S/c1-14-4-6-16(7-5-14)22-25-23(30-26-22)21-19(8-9-31-21)24-20(27)12-15-10-17(28-2)13-18(11-15)29-3/h4-11,13H,12H2,1-3H3,(H,24,27)
InChIKeyKAGFYBYUOLLHEW-UHFFFAOYSA-N
XLogP4.97
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-(4-methoxyphenyl)acetamide
CID 53163758
3-methoxy-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide
CID 53163713
N-(5-ethyl-2-methylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110425375
3-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
CID 90607600
N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]thiophene-3-carboxamide
CID 53163830
2-(4-methoxyphenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 4901930
N-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenylacetamide
CID 50747785
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylbenzamide
CID 53163764
2-(4-chlorophenyl)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30332574
N-(4-chloro-2-methylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110420937
N-(2,4-dimethylphenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 17101412
4-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 81119621

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]acetamide?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]acetamide (CID 53163730) is 2-(3,5-dimethoxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]acetamide.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]acetamide?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]acetamide is COc1cc(CC(=O)Nc2ccsc2-c2nc(-c3ccc(C)cc3)no2)cc(OC)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]acetamide?
The InChIKey is KAGFYBYUOLLHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-14-4-6-16(7-5-14)22-25-23(30-26-22)21-19(8-9-31-21)24-20(27)12-15-10-17(28-2)13-18(11-15)29-3/h4-11,13H,12H2,1-3H3,(H,24,27).
What are the key properties of 2-(3,5-dimethoxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]acetamide?
2-(3,5-dimethoxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]acetamide has a molecular weight of 435.51 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]acetamide is sourced from PubChem (CID 53163730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).