2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(2-fluorophenyl)acetamide

C17H23FN2O3S — CID 113149178

IUPAC2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(2-fluorophenyl)acetamide
SMILESCS(=O)(=O)N(CCC1=CCCCC1)CC(=O)Nc1ccccc1F
InChIInChI=1S/C17H23FN2O3S/c1-24(22,23)20(12-11-14-7-3-2-4-8-14)13-17(21)19-16-10-6-5-9-15(16)18/h5-7,9-10H,2-4,8,11-13H2,1H3,(H,19,21)
InChIKeyPLGFDRSXDHPMOP-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.92
Rot. Bonds7

About 2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(2-fluorophenyl)acetamide

2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(2-fluorophenyl)acetamide (PubChem CID 113149178) has the molecular formula C17H23FN2O3S and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(2-fluorophenyl)acetamide
PubChem CID113149178
Molecular FormulaC17H23FN2O3S
Molecular Weight354.45 g/mol
Exact Mass354.14
IUPAC Name2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(2-fluorophenyl)acetamide
SMILESCS(=O)(=O)N(CCC1=CCCCC1)CC(=O)Nc1ccccc1F
InChIInChI=1S/C17H23FN2O3S/c1-24(22,23)20(12-11-14-7-3-2-4-8-14)13-17(21)19-16-10-6-5-9-15(16)18/h5-7,9-10H,2-4,8,11-13H2,1H3,(H,19,21)
InChIKeyPLGFDRSXDHPMOP-UHFFFAOYSA-N
XLogP2.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]acetamide
CID 113149184
N-(3-chloro-4-fluorophenyl)-2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]acetamide
CID 113149187
2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(4-ethylphenyl)acetamide
CID 113149168
3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 113137549
N-(2-fluorophenyl)-2-[methylsulfonyl(pentyl)amino]acetamide
CID 113153470
2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
CID 113149104
N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]-4-fluorobenzamide
CID 113065900
N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide
CID 113149130
2-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 113157644
N-(2,4-difluorophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 21373041
N-(2,5-dimethylphenyl)-2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]acetamide
CID 113151961
N-(2-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136920

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(2-fluorophenyl)acetamide (CID 113149178) is 2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(2-fluorophenyl)acetamide is CS(=O)(=O)N(CCC1=CCCCC1)CC(=O)Nc1ccccc1F.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(2-fluorophenyl)acetamide?
The InChIKey is PLGFDRSXDHPMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3S/c1-24(22,23)20(12-11-14-7-3-2-4-8-14)13-17(21)19-16-10-6-5-9-15(16)18/h5-7,9-10H,2-4,8,11-13H2,1H3,(H,19,21).
What are the key properties of 2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(2-fluorophenyl)acetamide?
2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(2-fluorophenyl)acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 113149178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).