N-[2-(cyclohexen-1-yl)ethyl]-3-[4-(ethylsulfamoyl)phenyl]propanamide

C19H28N2O3S — CID 2224296

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-[4-(ethylsulfamoyl)phenyl]propanamide
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C19H28N2O3S/c1-2-21-25(23,24)18-11-8-17(9-12-18)10-13-19(22)20-15-14-16-6-4-3-5-7-16/h6,8-9,11-12,21H,2-5,7,10,13-15H2,1H3,(H,20,22)
InChIKeyKMKRDYKSOJMHHW-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.92
Rot. Bonds9

About N-[2-(cyclohexen-1-yl)ethyl]-3-[4-(ethylsulfamoyl)phenyl]propanamide

N-[2-(cyclohexen-1-yl)ethyl]-3-[4-(ethylsulfamoyl)phenyl]propanamide (PubChem CID 2224296) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-[4-(ethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-[4-(ethylsulfamoyl)phenyl]propanamide
PubChem CID2224296
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-[4-(ethylsulfamoyl)phenyl]propanamide
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C19H28N2O3S/c1-2-21-25(23,24)18-11-8-17(9-12-18)10-13-19(22)20-15-14-16-6-4-3-5-7-16/h6,8-9,11-12,21H,2-5,7,10,13-15H2,1H3,(H,20,22)
InChIKeyKMKRDYKSOJMHHW-UHFFFAOYSA-N
XLogP2.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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]-3-[4-(ethylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-[4-(ethylsulfamoyl)phenyl]propanamide (CID 2224296) is N-[2-(cyclohexen-1-yl)ethyl]-3-[4-(ethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-[4-(ethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-[4-(ethylsulfamoyl)phenyl]propanamide is CCNS(=O)(=O)c1ccc(CCC(=O)NCCC2=CCCCC2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-[4-(ethylsulfamoyl)phenyl]propanamide?
The InChIKey is KMKRDYKSOJMHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-2-21-25(23,24)18-11-8-17(9-12-18)10-13-19(22)20-15-14-16-6-4-3-5-7-16/h6,8-9,11-12,21H,2-5,7,10,13-15H2,1H3,(H,20,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-[4-(ethylsulfamoyl)phenyl]propanamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-[4-(ethylsulfamoyl)phenyl]propanamide has a molecular weight of 364.51 g/mol, XLogP of 2.92, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-[4-(ethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 2224296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).