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

C18H23N3O4S — CID 1374219

IUPAC2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nnc(C3CCCCC3)o2)c(OC)c1
InChIInChI=1S/C18H23N3O4S/c1-23-13-8-9-14(15(10-13)24-2)19-16(22)11-26-18-21-20-17(25-18)12-6-4-3-5-7-12/h8-10,12H,3-7,11H2,1-2H3,(H,19,22)
InChIKeyUWDLJRGDLFBGHI-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.87
Rot. Bonds7

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

2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 1374219) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID1374219
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nnc(C3CCCCC3)o2)c(OC)c1
InChIInChI=1S/C18H23N3O4S/c1-23-13-8-9-14(15(10-13)24-2)19-16(22)11-26-18-21-20-17(25-18)12-6-4-3-5-7-12/h8-10,12H,3-7,11H2,1-2H3,(H,19,22)
InChIKeyUWDLJRGDLFBGHI-UHFFFAOYSA-N
XLogP3.87
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide (CID 1374219) is 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CSc2nnc(C3CCCCC3)o2)c(OC)c1.
What is the InChIKey of 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is UWDLJRGDLFBGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-23-13-8-9-14(15(10-13)24-2)19-16(22)11-26-18-21-20-17(25-18)12-6-4-3-5-7-12/h8-10,12H,3-7,11H2,1-2H3,(H,19,22).
What are the key properties of 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide?
2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 377.47 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 1374219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).