2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide

C20H32N2O3S — CID 21373176

IUPAC2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C20H32N2O3S/c1-5-11-21-19(23)14-22(18-9-7-6-8-10-18)26(24,25)20-16(3)12-15(2)13-17(20)4/h12-13,18H,5-11,14H2,1-4H3,(H,21,23)
InChIKeyGYBXPZJAYWLUNV-UHFFFAOYSA-N
MW380.55 g/mol
LogP3.46
Rot. Bonds7

About 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide

2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide (PubChem CID 21373176) has the molecular formula C20H32N2O3S and a molecular weight of 380.55 g/mol. Its IUPAC name is 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide
PubChem CID21373176
Molecular FormulaC20H32N2O3S
Molecular Weight380.55 g/mol
Exact Mass380.21
IUPAC Name2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C20H32N2O3S/c1-5-11-21-19(23)14-22(18-9-7-6-8-10-18)26(24,25)20-16(3)12-15(2)13-17(20)4/h12-13,18H,5-11,14H2,1-4H3,(H,21,23)
InChIKeyGYBXPZJAYWLUNV-UHFFFAOYSA-N
XLogP3.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126371917
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-(4-bromo-2-ethyl-6-methylphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 100798519
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 21373188
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100795192
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401356
N-(4-bromo-2-fluorophenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 21373179
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28546455
N-[(4-tert-butylphenyl)methylideneamino]-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 4575278
N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 21373194
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-propylacetamide
CID 3875641

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide?
The IUPAC name of 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide (CID 21373176) is 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide.
What is the SMILES notation for 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide?
The canonical SMILES for 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide is CCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide?
The InChIKey is GYBXPZJAYWLUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3S/c1-5-11-21-19(23)14-22(18-9-7-6-8-10-18)26(24,25)20-16(3)12-15(2)13-17(20)4/h12-13,18H,5-11,14H2,1-4H3,(H,21,23).
What are the key properties of 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide?
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide has a molecular weight of 380.55 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide is sourced from PubChem (CID 21373176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).