N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopropylsulfamoyl)-4-fluorobenzamide

C18H23FN2O3S — CID 55581111

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopropylsulfamoyl)-4-fluorobenzamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C18H23FN2O3S/c19-16-9-6-14(12-17(16)25(23,24)21-15-7-8-15)18(22)20-11-10-13-4-2-1-3-5-13/h4,6,9,12,15,21H,1-3,5,7-8,10-11H2,(H,20,22)
InChIKeyWZDPHCVHRWKEDX-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.89
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopropylsulfamoyl)-4-fluorobenzamide

N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopropylsulfamoyl)-4-fluorobenzamide (PubChem CID 55581111) has the molecular formula C18H23FN2O3S and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopropylsulfamoyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopropylsulfamoyl)-4-fluorobenzamide
PubChem CID55581111
Molecular FormulaC18H23FN2O3S
Molecular Weight366.46 g/mol
Exact Mass366.14
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopropylsulfamoyl)-4-fluorobenzamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C18H23FN2O3S/c19-16-9-6-14(12-17(16)25(23,24)21-15-7-8-15)18(22)20-11-10-13-4-2-1-3-5-13/h4,6,9,12,15,21H,1-3,5,7-8,10-11H2,(H,20,22)
InChIKeyWZDPHCVHRWKEDX-UHFFFAOYSA-N
XLogP2.89
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110295859
N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 30500746
4-bromo-N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 30500581
3-(cyclopropylsulfamoyl)-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95150216
3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-methylcyclohexyl)benzamide
CID 31966533
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109052462
4-N-[(4-chlorophenyl)methyl]-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 109045014
4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-cyclopropylbenzamide
CID 109058268
N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 55604780
4-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 43515270
N-[2-(cyclohexen-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 18108486
4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 47213059

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopropylsulfamoyl)-4-fluorobenzamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopropylsulfamoyl)-4-fluorobenzamide (CID 55581111) is N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopropylsulfamoyl)-4-fluorobenzamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopropylsulfamoyl)-4-fluorobenzamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopropylsulfamoyl)-4-fluorobenzamide is O=C(NCCC1=CCCCC1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopropylsulfamoyl)-4-fluorobenzamide?
The InChIKey is WZDPHCVHRWKEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3S/c19-16-9-6-14(12-17(16)25(23,24)21-15-7-8-15)18(22)20-11-10-13-4-2-1-3-5-13/h4,6,9,12,15,21H,1-3,5,7-8,10-11H2,(H,20,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopropylsulfamoyl)-4-fluorobenzamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopropylsulfamoyl)-4-fluorobenzamide has a molecular weight of 366.46 g/mol, XLogP of 2.89, 7 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-(cyclopropylsulfamoyl)-4-fluorobenzamide is sourced from PubChem (CID 55581111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).