2-(2-propan-2-ylphenoxy)-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide

C24H29N3O3S — CID 98065462

IUPAC2-(2-propan-2-ylphenoxy)-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
SMILESCC(C)c1ccccc1OCC(=O)NCC1CCC(c2nnc(-c3cccs3)o2)CC1
InChIInChI=1S/C24H29N3O3S/c1-16(2)19-6-3-4-7-20(19)29-15-22(28)25-14-17-9-11-18(12-10-17)23-26-27-24(30-23)21-8-5-13-31-21/h3-8,13,16-18H,9-12,14-15H2,1-2H3,(H,25,28)
InChIKeySJHAHRGFIFPQNT-UHFFFAOYSA-N
MW439.58 g/mol
LogP5.39
Rot. Bonds8

About 2-(2-propan-2-ylphenoxy)-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide

2-(2-propan-2-ylphenoxy)-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide (PubChem CID 98065462) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is 2-(2-propan-2-ylphenoxy)-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-propan-2-ylphenoxy)-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
PubChem CID98065462
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC Name2-(2-propan-2-ylphenoxy)-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
SMILESCC(C)c1ccccc1OCC(=O)NCC1CCC(c2nnc(-c3cccs3)o2)CC1
InChIInChI=1S/C24H29N3O3S/c1-16(2)19-6-3-4-7-20(19)29-15-22(28)25-14-17-9-11-18(12-10-17)23-26-27-24(30-23)21-8-5-13-31-21/h3-8,13,16-18H,9-12,14-15H2,1-2H3,(H,25,28)
InChIKeySJHAHRGFIFPQNT-UHFFFAOYSA-N
XLogP5.39
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.58
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylphenoxy)-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide?
The IUPAC name of 2-(2-propan-2-ylphenoxy)-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide (CID 98065462) is 2-(2-propan-2-ylphenoxy)-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-(2-propan-2-ylphenoxy)-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide?
The canonical SMILES for 2-(2-propan-2-ylphenoxy)-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide is CC(C)c1ccccc1OCC(=O)NCC1CCC(c2nnc(-c3cccs3)o2)CC1.
What is the InChIKey of 2-(2-propan-2-ylphenoxy)-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide?
The InChIKey is SJHAHRGFIFPQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-16(2)19-6-3-4-7-20(19)29-15-22(28)25-14-17-9-11-18(12-10-17)23-26-27-24(30-23)21-8-5-13-31-21/h3-8,13,16-18H,9-12,14-15H2,1-2H3,(H,25,28).
What are the key properties of 2-(2-propan-2-ylphenoxy)-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide?
2-(2-propan-2-ylphenoxy)-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide has a molecular weight of 439.58 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylphenoxy)-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide is sourced from PubChem (CID 98065462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).