N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide

C22H32N2O4S — CID 1210584

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCCC1=CCCCC1
InChIInChI=1S/C22H32N2O4S/c25-22(23-16-15-18-7-3-1-4-8-18)17-28-20-11-13-21(14-12-20)29(26,27)24-19-9-5-2-6-10-19/h7,11-14,19,24H,1-6,8-10,15-17H2,(H,23,25)
InChIKeyRIKTVQQXLCSVEJ-UHFFFAOYSA-N
MW420.58 g/mol
LogP3.68
Rot. Bonds9

About N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide (PubChem CID 1210584) has the molecular formula C22H32N2O4S and a molecular weight of 420.58 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
PubChem CID1210584
Molecular FormulaC22H32N2O4S
Molecular Weight420.58 g/mol
Exact Mass420.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCCC1=CCCCC1
InChIInChI=1S/C22H32N2O4S/c25-22(23-16-15-18-7-3-1-4-8-18)17-28-20-11-13-21(14-12-20)29(26,27)24-19-9-5-2-6-10-19/h7,11-14,19,24H,1-6,8-10,15-17H2,(H,23,25)
InChIKeyRIKTVQQXLCSVEJ-UHFFFAOYSA-N
XLogP3.68
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide (CID 1210584) is N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide is O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide?
The InChIKey is RIKTVQQXLCSVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4S/c25-22(23-16-15-18-7-3-1-4-8-18)17-28-20-11-13-21(14-12-20)29(26,27)24-19-9-5-2-6-10-19/h7,11-14,19,24H,1-6,8-10,15-17H2,(H,23,25).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide has a molecular weight of 420.58 g/mol, XLogP of 3.68, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 1210584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).