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

C25H34N2O4S — CID 100795184

IUPAC2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(N(C)C(=O)CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C25H34N2O4S/c1-18-15-19(2)25(20(3)16-18)32(29,30)27(22-9-7-6-8-10-22)17-24(28)26(4)21-11-13-23(31-5)14-12-21/h11-16,22H,6-10,17H2,1-5H3
InChIKeyBDQOPIRVJTWLFX-UHFFFAOYSA-N
MW458.62 g/mol
LogP4.61
Rot. Bonds7

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

2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide (PubChem CID 100795184) has the molecular formula C25H34N2O4S and a molecular weight of 458.62 g/mol. Its IUPAC name is 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide
PubChem CID100795184
Molecular FormulaC25H34N2O4S
Molecular Weight458.62 g/mol
Exact Mass458.22
IUPAC Name2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(N(C)C(=O)CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C25H34N2O4S/c1-18-15-19(2)25(20(3)16-18)32(29,30)27(22-9-7-6-8-10-22)17-24(28)26(4)21-11-13-23(31-5)14-12-21/h11-16,22H,6-10,17H2,1-5H3
InChIKeyBDQOPIRVJTWLFX-UHFFFAOYSA-N
XLogP4.61
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.62
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 21373188
methyl 2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate
CID 58393291
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
CID 100791045
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide
CID 124550969
N-cyclohexyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethylbenzenesulfonamide
CID 21373214
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide
CID 21373176
N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 21373194
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
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100795192
N-(4-methoxyphenyl)-N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100790286
2-[cyclohexyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
CID 10807240

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide?
The IUPAC name of 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide (CID 100795184) is 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide is COc1ccc(N(C)C(=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-(4-methoxyphenyl)-N-methylacetamide?
The InChIKey is BDQOPIRVJTWLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4S/c1-18-15-19(2)25(20(3)16-18)32(29,30)27(22-9-7-6-8-10-22)17-24(28)26(4)21-11-13-23(31-5)14-12-21/h11-16,22H,6-10,17H2,1-5H3.
What are the key properties of 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide?
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide has a molecular weight of 458.62 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 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-(4-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 100795184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).