2-(cyclohexen-1-yl)-N-(3-fluoro-4-methylsulfonylphenyl)acetamide

C15H18FNO3S — CID 71999240

IUPAC2-(cyclohexen-1-yl)-N-(3-fluoro-4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CC2=CCCCC2)cc1F
InChIInChI=1S/C15H18FNO3S/c1-21(19,20)14-8-7-12(10-13(14)16)17-15(18)9-11-5-3-2-4-6-11/h5,7-8,10H,2-4,6,9H2,1H3,(H,17,18)
InChIKeyYCSZOJIPPVXQHX-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.06
Rot. Bonds4

About 2-(cyclohexen-1-yl)-N-(3-fluoro-4-methylsulfonylphenyl)acetamide

2-(cyclohexen-1-yl)-N-(3-fluoro-4-methylsulfonylphenyl)acetamide (PubChem CID 71999240) has the molecular formula C15H18FNO3S and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(3-fluoro-4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(3-fluoro-4-methylsulfonylphenyl)acetamide
PubChem CID71999240
Molecular FormulaC15H18FNO3S
Molecular Weight311.38 g/mol
Exact Mass311.10
IUPAC Name2-(cyclohexen-1-yl)-N-(3-fluoro-4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CC2=CCCCC2)cc1F
InChIInChI=1S/C15H18FNO3S/c1-21(19,20)14-8-7-12(10-13(14)16)17-15(18)9-11-5-3-2-4-6-11/h5,7-8,10H,2-4,6,9H2,1H3,(H,17,18)
InChIKeyYCSZOJIPPVXQHX-UHFFFAOYSA-N
XLogP3.06
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.06
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

2-(cyclohexen-1-yl)-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]acetamide
CID 71998989
N-(3-bromo-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide
CID 63564030
4-[[2-(cyclohexen-1-yl)acetyl]amino]-2-methylbenzoic acid
CID 63562693
2-(cyclohexen-1-yl)-N-(4-iodophenyl)acetamide
CID 63563087
N-(3-chloro-4-fluorophenyl)-2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]acetamide
CID 113149187
2-(cyclohexen-1-yl)-N-(3,4-difluorophenyl)sulfonylacetamide
CID 75420036
2-(cyclohexen-1-yl)-N-(2-sulfamoylphenyl)acetamide
CID 63563480
2-[5-[[2-(cyclohexen-1-yl)acetyl]amino]indol-1-yl]acetic acid
CID 119235511
N-(4-bromo-3-fluorophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 71283763
N-(3,4-difluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 43024786
N-(2-chloro-5-sulfamoylphenyl)-2-(cyclohexen-1-yl)acetamide
CID 63563292
methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]-5-methylbenzoate
CID 63564039

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-(3-fluoro-4-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(3-fluoro-4-methylsulfonylphenyl)acetamide (CID 71999240) is 2-(cyclohexen-1-yl)-N-(3-fluoro-4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(3-fluoro-4-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(3-fluoro-4-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1ccc(NC(=O)CC2=CCCCC2)cc1F.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(3-fluoro-4-methylsulfonylphenyl)acetamide?
The InChIKey is YCSZOJIPPVXQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3S/c1-21(19,20)14-8-7-12(10-13(14)16)17-15(18)9-11-5-3-2-4-6-11/h5,7-8,10H,2-4,6,9H2,1H3,(H,17,18).
What are the key properties of 2-(cyclohexen-1-yl)-N-(3-fluoro-4-methylsulfonylphenyl)acetamide?
2-(cyclohexen-1-yl)-N-(3-fluoro-4-methylsulfonylphenyl)acetamide has a molecular weight of 311.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-(3-fluoro-4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 71999240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).