2-[2-[(2,6-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]acetamide

C26H34Cl2FN3O4S — CID 66702713

IUPAC2-[2-[(2,6-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]acetamide
SMILESCN(C)C(c1cccc(F)c1)C1CCC(NC(=O)COCCN(C)S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C26H34Cl2FN3O4S/c1-31(2)25(19-6-4-7-20(29)16-19)18-10-12-21(13-11-18)30-24(33)17-36-15-14-32(3)37(34,35)26-22(27)8-5-9-23(26)28/h4-9,16,18,21,25H,10-15,17H2,1-3H3,(H,30,33)
InChIKeyUJEZBFZZGOHJFU-UHFFFAOYSA-N
MW574.55 g/mol
LogP4.75
Rot. Bonds11

About 2-[2-[(2,6-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]acetamide

2-[2-[(2,6-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]acetamide (PubChem CID 66702713) has the molecular formula C26H34Cl2FN3O4S and a molecular weight of 574.55 g/mol. Its IUPAC name is 2-[2-[(2,6-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[2-[(2,6-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]acetamide
PubChem CID66702713
Molecular FormulaC26H34Cl2FN3O4S
Molecular Weight574.55 g/mol
Exact Mass573.16
IUPAC Name2-[2-[(2,6-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]acetamide
SMILESCN(C)C(c1cccc(F)c1)C1CCC(NC(=O)COCCN(C)S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C26H34Cl2FN3O4S/c1-31(2)25(19-6-4-7-20(29)16-19)18-10-12-21(13-11-18)30-24(33)17-36-15-14-32(3)37(34,35)26-22(27)8-5-9-23(26)28/h4-9,16,18,21,25H,10-15,17H2,1-3H3,(H,30,33)
InChIKeyUJEZBFZZGOHJFU-UHFFFAOYSA-N
XLogP4.75
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.55
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2,4-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]acetamide
CID 44231420
2-[2-[benzenesulfonyl(benzyl)amino]ethoxy]-N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]acetamide
CID 66702611
2-[2-[benzenesulfonyl(benzyl)amino]ethoxy]-N-[2-[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]ethyl]acetamide
CID 66702618
N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxyacetamide
CID 66702679
2-[2-[(2,4-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]acetamide
CID 66702705
2-[[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]acetamide
CID 66702706
N-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]-2-[2-[(4-fluorophenyl)sulfonyl-methylamino]ethoxy]acetamide
CID 66702712
2-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethoxy]-N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]acetamide
CID 66702719
2-[2-[(2,4-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]acetamide
CID 66702722
N-[2-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]ethyl]-2-[2-[methyl-(2,4,6-trichlorophenyl)sulfonylamino]ethoxy]acetamide
CID 66702730
2-[[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-N-[2-[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]ethyl]acetamide
CID 66702737
2-[[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-N-[2-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]ethyl]acetamide
CID 66702740

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,6-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]acetamide?
The IUPAC name of 2-[2-[(2,6-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]acetamide (CID 66702713) is 2-[2-[(2,6-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-[2-[(2,6-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]acetamide?
The canonical SMILES for 2-[2-[(2,6-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]acetamide is CN(C)C(c1cccc(F)c1)C1CCC(NC(=O)COCCN(C)S(=O)(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 2-[2-[(2,6-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]acetamide?
The InChIKey is UJEZBFZZGOHJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34Cl2FN3O4S/c1-31(2)25(19-6-4-7-20(29)16-19)18-10-12-21(13-11-18)30-24(33)17-36-15-14-32(3)37(34,35)26-22(27)8-5-9-23(26)28/h4-9,16,18,21,25H,10-15,17H2,1-3H3,(H,30,33).
What are the key properties of 2-[2-[(2,6-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]acetamide?
2-[2-[(2,6-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]acetamide has a molecular weight of 574.55 g/mol, XLogP of 4.75, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,6-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]acetamide is sourced from PubChem (CID 66702713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).