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

C19H28N2O4S — CID 2211189

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[4-(propylsulfamoyl)phenoxy]acetamide
SMILESCCCNS(=O)(=O)c1ccc(OCC(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C19H28N2O4S/c1-2-13-21-26(23,24)18-10-8-17(9-11-18)25-15-19(22)20-14-12-16-6-4-3-5-7-16/h6,8-11,21H,2-5,7,12-15H2,1H3,(H,20,22)
InChIKeyZCLQIXFSPOJWSW-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.76
Rot. Bonds10

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

N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(propylsulfamoyl)phenoxy]acetamide (PubChem CID 2211189) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(propylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[4-(propylsulfamoyl)phenoxy]acetamide
PubChem CID2211189
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[4-(propylsulfamoyl)phenoxy]acetamide
SMILESCCCNS(=O)(=O)c1ccc(OCC(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C19H28N2O4S/c1-2-13-21-26(23,24)18-10-8-17(9-11-18)25-15-19(22)20-14-12-16-6-4-3-5-7-16/h6,8-11,21H,2-5,7,12-15H2,1H3,(H,20,22)
InChIKeyZCLQIXFSPOJWSW-UHFFFAOYSA-N
XLogP2.76
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.76
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-(propylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(propylsulfamoyl)phenoxy]acetamide (CID 2211189) is N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(propylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(propylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(propylsulfamoyl)phenoxy]acetamide is CCCNS(=O)(=O)c1ccc(OCC(=O)NCCC2=CCCCC2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(propylsulfamoyl)phenoxy]acetamide?
The InChIKey is ZCLQIXFSPOJWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-2-13-21-26(23,24)18-10-8-17(9-11-18)25-15-19(22)20-14-12-16-6-4-3-5-7-16/h6,8-11,21H,2-5,7,12-15H2,1H3,(H,20,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(propylsulfamoyl)phenoxy]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(propylsulfamoyl)phenoxy]acetamide has a molecular weight of 380.51 g/mol, XLogP of 2.76, 10 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-(propylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 2211189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).