N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide

C23H28N2O4S — CID 4031208

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCCC3=CCCCC3)cc2)c1
InChIInChI=1S/C23H28N2O4S/c1-18-6-5-9-20(16-18)25-30(27,28)22-12-10-21(11-13-22)29-17-23(26)24-15-14-19-7-3-2-4-8-19/h5-7,9-13,16,25H,2-4,8,14-15,17H2,1H3,(H,24,26)
InChIKeyMOKUFTJRCFTGDX-UHFFFAOYSA-N
MW428.55 g/mol
LogP4.18
Rot. Bonds9

About N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide (PubChem CID 4031208) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
PubChem CID4031208
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCCC3=CCCCC3)cc2)c1
InChIInChI=1S/C23H28N2O4S/c1-18-6-5-9-20(16-18)25-30(27,28)22-12-10-21(11-13-22)29-17-23(26)24-15-14-19-7-3-2-4-8-19/h5-7,9-13,16,25H,2-4,8,14-15,17H2,1H3,(H,24,26)
InChIKeyMOKUFTJRCFTGDX-UHFFFAOYSA-N
XLogP4.18
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 730729
N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 28553452
2-(4-anilinophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 18225951
N-(4-ethylphenyl)-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 3889761
2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 4995850
N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-2-(3-methylphenoxy)acetamide
CID 4635152
N-[2-(cyclohexen-1-yl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 703716
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128323
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 837554
N-[(2,4-dichlorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 4291684
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3-(methanesulfonamido)benzoate
CID 16543096
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]acetamide
CID 17432888

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide (CID 4031208) is N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide is Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCCC3=CCCCC3)cc2)c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide?
The InChIKey is MOKUFTJRCFTGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-18-6-5-9-20(16-18)25-30(27,28)22-12-10-21(11-13-22)29-17-23(26)24-15-14-19-7-3-2-4-8-19/h5-7,9-13,16,25H,2-4,8,14-15,17H2,1H3,(H,24,26).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide has a molecular weight of 428.55 g/mol, XLogP of 4.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 4031208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).