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

C21H32N2O3S — CID 1006693

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
SMILESCC(C)CNS(=O)(=O)c1ccc(CCC(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C21H32N2O3S/c1-17(2)16-23-27(25,26)20-11-8-19(9-12-20)10-13-21(24)22-15-14-18-6-4-3-5-7-18/h6,8-9,11-12,17,23H,3-5,7,10,13-16H2,1-2H3,(H,22,24)
InChIKeyUUXUCBVIMAQIRQ-UHFFFAOYSA-N
MW392.57 g/mol
LogP3.56
Rot. Bonds10

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

N-[2-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide (PubChem CID 1006693) has the molecular formula C21H32N2O3S and a molecular weight of 392.57 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
PubChem CID1006693
Molecular FormulaC21H32N2O3S
Molecular Weight392.57 g/mol
Exact Mass392.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
SMILESCC(C)CNS(=O)(=O)c1ccc(CCC(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C21H32N2O3S/c1-17(2)16-23-27(25,26)20-11-8-19(9-12-20)10-13-21(24)22-15-14-18-6-4-3-5-7-18/h6,8-9,11-12,17,23H,3-5,7,10,13-16H2,1-2H3,(H,22,24)
InChIKeyUUXUCBVIMAQIRQ-UHFFFAOYSA-N
XLogP3.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 53.56
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-(2-methylpropylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide (CID 1006693) is N-[2-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide is CC(C)CNS(=O)(=O)c1ccc(CCC(=O)NCCC2=CCCCC2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
The InChIKey is UUXUCBVIMAQIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3S/c1-17(2)16-23-27(25,26)20-11-8-19(9-12-20)10-13-21(24)22-15-14-18-6-4-3-5-7-18/h6,8-9,11-12,17,23H,3-5,7,10,13-16H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide has a molecular weight of 392.57 g/mol, XLogP of 3.56, 10 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-(2-methylpropylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 1006693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).