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

C26H36N2O3S2 — CID 28546455

IUPAC2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCSc1ccc([C@@H](C)NC(=O)CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C26H36N2O3S2/c1-18-15-19(2)26(20(3)16-18)33(30,31)28(23-9-7-6-8-10-23)17-25(29)27-21(4)22-11-13-24(32-5)14-12-22/h11-16,21,23H,6-10,17H2,1-5H3,(H,27,29)/t21-/m1/s1
InChIKeyFEOJHIYFWIEPDK-OAQYLSRUSA-N
MW488.72 g/mol
LogP5.53
Rot. Bonds8

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

2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide (PubChem CID 28546455) has the molecular formula C26H36N2O3S2 and a molecular weight of 488.72 g/mol. Its IUPAC name is 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
PubChem CID28546455
Molecular FormulaC26H36N2O3S2
Molecular Weight488.72 g/mol
Exact Mass488.22
IUPAC Name2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCSc1ccc([C@@H](C)NC(=O)CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C26H36N2O3S2/c1-18-15-19(2)26(20(3)16-18)33(30,31)28(23-9-7-6-8-10-23)17-25(29)27-21(4)22-11-13-24(32-5)14-12-22/h11-16,21,23H,6-10,17H2,1-5H3,(H,27,29)/t21-/m1/s1
InChIKeyFEOJHIYFWIEPDK-OAQYLSRUSA-N
XLogP5.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.72
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401356
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 43871822
2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28548598
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide
CID 21373176
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 94861140
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,5-dimethylphenyl)acetamide
CID 126371932
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 40554659
2-[benzenesulfonyl(cyclohexyl)amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 28543278
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(3,5-dichlorophenyl)acetamide
CID 126371813
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30400980
N-(4-bromo-2-fluorophenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 21373179
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43871755

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide?
The IUPAC name of 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide (CID 28546455) is 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide is CSc1ccc([C@@H](C)NC(=O)CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide?
The InChIKey is FEOJHIYFWIEPDK-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H36N2O3S2/c1-18-15-19(2)26(20(3)16-18)33(30,31)28(23-9-7-6-8-10-23)17-25(29)27-21(4)22-11-13-24(32-5)14-12-22/h11-16,21,23H,6-10,17H2,1-5H3,(H,27,29)/t21-/m1/s1.
What are the key properties of 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide?
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide has a molecular weight of 488.72 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide is sourced from PubChem (CID 28546455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).