N-[2-(cyclohexen-1-yl)ethyl]-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide

C25H38N2O3S — CID 126371917

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(CC(=O)NCCC2=CCCCC2)C2CCCCC2)c(C)c1
InChIInChI=1S/C25H38N2O3S/c1-19-16-20(2)25(21(3)17-19)31(29,30)27(23-12-8-5-9-13-23)18-24(28)26-15-14-22-10-6-4-7-11-22/h10,16-17,23H,4-9,11-15,18H2,1-3H3,(H,26,28)
InChIKeyPAWLGWVQDCHLGU-UHFFFAOYSA-N
MW446.66 g/mol
LogP4.94
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (PubChem CID 126371917) has the molecular formula C25H38N2O3S and a molecular weight of 446.66 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
PubChem CID126371917
Molecular FormulaC25H38N2O3S
Molecular Weight446.66 g/mol
Exact Mass446.26
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(CC(=O)NCCC2=CCCCC2)C2CCCCC2)c(C)c1
InChIInChI=1S/C25H38N2O3S/c1-19-16-20(2)25(21(3)17-19)31(29,30)27(23-12-8-5-9-13-23)18-24(28)26-15-14-22-10-6-4-7-11-22/h10,16-17,23H,4-9,11-15,18H2,1-3H3,(H,26,28)
InChIKeyPAWLGWVQDCHLGU-UHFFFAOYSA-N
XLogP4.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.66
LogP ≤ 54.94
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-[2-(cyclohexen-1-yl)ethyl]-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137374
2-[acetyl(cycloheptyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113166263
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,5-dimethylphenyl)acetamide
CID 126371932
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(3,5-dichlorophenyl)acetamide
CID 126371813
N-[2-(cyclohexen-1-yl)ethyl]-2-[cyclopentyl(2-hydroxyethyl)amino]acetamide
CID 62016038
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4,6-trimethylanilino)acetamide
CID 54811825
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100795192
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 7997425
N-[2-(cyclohexen-1-yl)ethyl]-2-cyclohexylacetamide
CID 848109
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 21373188
N-(4-bromo-2-ethyl-6-methylphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 100798519
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylphenyl)acetamide
CID 92682179

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (CID 126371917) is N-[2-(cyclohexen-1-yl)ethyl]-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCCC2=CCCCC2)C2CCCCC2)c(C)c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The InChIKey is PAWLGWVQDCHLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O3S/c1-19-16-20(2)25(21(3)17-19)31(29,30)27(23-12-8-5-9-13-23)18-24(28)26-15-14-22-10-6-4-7-11-22/h10,16-17,23H,4-9,11-15,18H2,1-3H3,(H,26,28).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide has a molecular weight of 446.66 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 126371917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).