N-cyclohex-2-en-1-yl-2-[4-(ethylsulfamoyl)phenyl]acetamide

C16H22N2O3S — CID 86791122

IUPACN-cyclohex-2-en-1-yl-2-[4-(ethylsulfamoyl)phenyl]acetamide
SMILESCCNS(=O)(=O)c1ccc(CC(=O)NC2C=CCCC2)cc1
InChIInChI=1S/C16H22N2O3S/c1-2-17-22(20,21)15-10-8-13(9-11-15)12-16(19)18-14-6-4-3-5-7-14/h4,6,8-11,14,17H,2-3,5,7,12H2,1H3,(H,18,19)
InChIKeyLRDHDYIIRDBFCI-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.75
Rot. Bonds6

About N-cyclohex-2-en-1-yl-2-[4-(ethylsulfamoyl)phenyl]acetamide

N-cyclohex-2-en-1-yl-2-[4-(ethylsulfamoyl)phenyl]acetamide (PubChem CID 86791122) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-2-[4-(ethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-2-[4-(ethylsulfamoyl)phenyl]acetamide
PubChem CID86791122
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-cyclohex-2-en-1-yl-2-[4-(ethylsulfamoyl)phenyl]acetamide
SMILESCCNS(=O)(=O)c1ccc(CC(=O)NC2C=CCCC2)cc1
InChIInChI=1S/C16H22N2O3S/c1-2-17-22(20,21)15-10-8-13(9-11-15)12-16(19)18-14-6-4-3-5-7-14/h4,6,8-11,14,17H,2-3,5,7,12H2,1H3,(H,18,19)
InChIKeyLRDHDYIIRDBFCI-UHFFFAOYSA-N
XLogP1.75
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.75
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-ethyl-4-[2-[2-(2-hydroxyethyl)azepan-1-yl]-2-oxoethyl]benzenesulfonamide
CID 154757584
N-[3-(4-chlorophenyl)cyclobutyl]-2-[4-(ethylsulfamoyl)phenyl]acetamide
CID 166222395
N-ethyl-2-[4-(ethylsulfamoyl)phenyl]-N-methylacetamide
CID 75522415
2-[4-(ethylsulfamoyl)phenyl]-N-(2-methylphenyl)acetamide
CID 75506253
[2-(cyclopropylamino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 40571054
N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]propanamide
CID 112507167
(6R)-4-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-6-methylmorpholine-2-carboxylic acid
CID 120536013
2-[benzyl-[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]acetic acid
CID 120517921
4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-N-ethylbenzenesulfonamide
CID 9295225
methyl 2-[4-(2-cyclobutylethylsulfamoyl)phenyl]acetate
CID 115690444
N-ethyl-4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 32771990
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 11917240

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-yl-2-[4-(ethylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-cyclohex-2-en-1-yl-2-[4-(ethylsulfamoyl)phenyl]acetamide (CID 86791122) is N-cyclohex-2-en-1-yl-2-[4-(ethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-cyclohex-2-en-1-yl-2-[4-(ethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-cyclohex-2-en-1-yl-2-[4-(ethylsulfamoyl)phenyl]acetamide is CCNS(=O)(=O)c1ccc(CC(=O)NC2C=CCCC2)cc1.
What is the InChIKey of N-cyclohex-2-en-1-yl-2-[4-(ethylsulfamoyl)phenyl]acetamide?
The InChIKey is LRDHDYIIRDBFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-2-17-22(20,21)15-10-8-13(9-11-15)12-16(19)18-14-6-4-3-5-7-14/h4,6,8-11,14,17H,2-3,5,7,12H2,1H3,(H,18,19).
What are the key properties of N-cyclohex-2-en-1-yl-2-[4-(ethylsulfamoyl)phenyl]acetamide?
N-cyclohex-2-en-1-yl-2-[4-(ethylsulfamoyl)phenyl]acetamide has a molecular weight of 322.43 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-yl-2-[4-(ethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 86791122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).