N-[2-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl-methylsulfamoyl]-4-methylphenyl]acetamide

C20H28N4O4S — CID 53055804

IUPACN-[2-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl-methylsulfamoyl]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)cc1S(=O)(=O)N(C)CCc1noc(C2CCCCC2)n1
InChIInChI=1S/C20H28N4O4S/c1-14-9-10-17(21-15(2)25)18(13-14)29(26,27)24(3)12-11-19-22-20(28-23-19)16-7-5-4-6-8-16/h9-10,13,16H,4-8,11-12H2,1-3H3,(H,21,25)
InChIKeyXZDYFDFGQMKMTP-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.25
Rot. Bonds7

About N-[2-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl-methylsulfamoyl]-4-methylphenyl]acetamide

N-[2-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl-methylsulfamoyl]-4-methylphenyl]acetamide (PubChem CID 53055804) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[2-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl-methylsulfamoyl]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl-methylsulfamoyl]-4-methylphenyl]acetamide
PubChem CID53055804
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC NameN-[2-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl-methylsulfamoyl]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)cc1S(=O)(=O)N(C)CCc1noc(C2CCCCC2)n1
InChIInChI=1S/C20H28N4O4S/c1-14-9-10-17(21-15(2)25)18(13-14)29(26,27)24(3)12-11-19-22-20(28-23-19)16-7-5-4-6-8-16/h9-10,13,16H,4-8,11-12H2,1-3H3,(H,21,25)
InChIKeyXZDYFDFGQMKMTP-UHFFFAOYSA-N
XLogP3.25
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl-methylsulfamoyl]-4-methylphenyl]acetamide?
The IUPAC name of N-[2-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl-methylsulfamoyl]-4-methylphenyl]acetamide (CID 53055804) is N-[2-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl-methylsulfamoyl]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[2-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl-methylsulfamoyl]-4-methylphenyl]acetamide?
The canonical SMILES for N-[2-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl-methylsulfamoyl]-4-methylphenyl]acetamide is CC(=O)Nc1ccc(C)cc1S(=O)(=O)N(C)CCc1noc(C2CCCCC2)n1.
What is the InChIKey of N-[2-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl-methylsulfamoyl]-4-methylphenyl]acetamide?
The InChIKey is XZDYFDFGQMKMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4S/c1-14-9-10-17(21-15(2)25)18(13-14)29(26,27)24(3)12-11-19-22-20(28-23-19)16-7-5-4-6-8-16/h9-10,13,16H,4-8,11-12H2,1-3H3,(H,21,25).
What are the key properties of N-[2-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl-methylsulfamoyl]-4-methylphenyl]acetamide?
N-[2-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl-methylsulfamoyl]-4-methylphenyl]acetamide has a molecular weight of 420.54 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl-methylsulfamoyl]-4-methylphenyl]acetamide is sourced from PubChem (CID 53055804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).