2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide

C24H32N2O5S — CID 100790062

IUPAC2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide
SMILESCOc1cccc(OC)c1CNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H32N2O5S/c1-18-12-14-20(15-13-18)32(28,29)26(19-8-5-4-6-9-19)17-24(27)25-16-21-22(30-2)10-7-11-23(21)31-3/h7,10-15,19H,4-6,8-9,16-17H2,1-3H3,(H,25,27)
InChIKeyDVMWUMYQZRYBDB-UHFFFAOYSA-N
MW460.60 g/mol
LogP3.65
Rot. Bonds9

About 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide

2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide (PubChem CID 100790062) has the molecular formula C24H32N2O5S and a molecular weight of 460.60 g/mol. Its IUPAC name is 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide
PubChem CID100790062
Molecular FormulaC24H32N2O5S
Molecular Weight460.60 g/mol
Exact Mass460.20
IUPAC Name2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide
SMILESCOc1cccc(OC)c1CNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H32N2O5S/c1-18-12-14-20(15-13-18)32(28,29)26(19-8-5-4-6-9-19)17-24(27)25-16-21-22(30-2)10-7-11-23(21)31-3/h7,10-15,19H,4-6,8-9,16-17H2,1-3H3,(H,25,27)
InChIKeyDVMWUMYQZRYBDB-UHFFFAOYSA-N
XLogP3.65
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 4025829
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 126393939
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 100790812
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 1232002
N-[(2-chlorophenyl)methyl]-2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 126011818
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100796300
2-[cycloheptyl-(4-methylphenyl)sulfonylamino]acetate
CID 2095447
2-[cyclohexyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
CID 10807240
N-(3-chlorophenyl)-2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1325797
N-[(2,6-dimethoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 100794222
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide
CID 21380372
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-propylacetamide
CID 3875641

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide (CID 100790062) is 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide is COc1cccc(OC)c1CNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide?
The InChIKey is DVMWUMYQZRYBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5S/c1-18-12-14-20(15-13-18)32(28,29)26(19-8-5-4-6-9-19)17-24(27)25-16-21-22(30-2)10-7-11-23(21)31-3/h7,10-15,19H,4-6,8-9,16-17H2,1-3H3,(H,25,27).
What are the key properties of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide?
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide has a molecular weight of 460.60 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 100790062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).