2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethylideneamino)acetamide

C23H30N4O3S — CID 4264576

IUPAC2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethylideneamino)acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(CC(=O)NN=Cc2ccccn2)C2CCCCC2)c(C)c1
InChIInChI=1S/C23H30N4O3S/c1-17-13-18(2)23(19(3)14-17)31(29,30)27(21-10-5-4-6-11-21)16-22(28)26-25-15-20-9-7-8-12-24-20/h7-9,12-15,21H,4-6,10-11,16H2,1-3H3,(H,26,28)
InChIKeyQEUYVGHUNYXCIL-UHFFFAOYSA-N
MW442.59 g/mol
LogP3.48
Rot. Bonds7

About 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethylideneamino)acetamide

2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethylideneamino)acetamide (PubChem CID 4264576) has the molecular formula C23H30N4O3S and a molecular weight of 442.59 g/mol. Its IUPAC name is 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethylideneamino)acetamide.

Molecular Properties

Compound Name2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethylideneamino)acetamide
PubChem CID4264576
Molecular FormulaC23H30N4O3S
Molecular Weight442.59 g/mol
Exact Mass442.20
IUPAC Name2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethylideneamino)acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(CC(=O)NN=Cc2ccccn2)C2CCCCC2)c(C)c1
InChIInChI=1S/C23H30N4O3S/c1-17-13-18(2)23(19(3)14-17)31(29,30)27(21-10-5-4-6-11-21)16-22(28)26-25-15-20-9-7-8-12-24-20/h7-9,12-15,21H,4-6,10-11,16H2,1-3H3,(H,26,28)
InChIKeyQEUYVGHUNYXCIL-UHFFFAOYSA-N
XLogP3.48
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.59
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 5182080
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide
CID 124550969
N-[(4-tert-butylphenyl)methylideneamino]-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 4575278
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,5-dimethylphenyl)acetamide
CID 126371932
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide
CID 21373176
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
CID 6378342
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 21373188
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(3,5-dichlorophenyl)acetamide
CID 126371813
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100795192
N-(4-bromo-2-fluorophenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 21373179
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 6178901
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401356

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethylideneamino)acetamide?
The IUPAC name of 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethylideneamino)acetamide (CID 4264576) is 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethylideneamino)acetamide.
What is the SMILES notation for 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethylideneamino)acetamide?
The canonical SMILES for 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethylideneamino)acetamide is Cc1cc(C)c(S(=O)(=O)N(CC(=O)NN=Cc2ccccn2)C2CCCCC2)c(C)c1.
What is the InChIKey of 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethylideneamino)acetamide?
The InChIKey is QEUYVGHUNYXCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3S/c1-17-13-18(2)23(19(3)14-17)31(29,30)27(21-10-5-4-6-11-21)16-22(28)26-25-15-20-9-7-8-12-24-20/h7-9,12-15,21H,4-6,10-11,16H2,1-3H3,(H,26,28).
What are the key properties of 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethylideneamino)acetamide?
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethylideneamino)acetamide has a molecular weight of 442.59 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethylideneamino)acetamide is sourced from PubChem (CID 4264576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).