N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(1S,2S)-2-methylsulfonylcyclohexyl]amino]acetamide

C17H22ClF3N2O3S — CID 96522124

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(1S,2S)-2-methylsulfonylcyclohexyl]amino]acetamide
SMILESCN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCCC[C@@H]1S(C)(=O)=O
InChIInChI=1S/C17H22ClF3N2O3S/c1-23(14-5-3-4-6-15(14)27(2,25)26)10-16(24)22-13-9-11(17(19,20)21)7-8-12(13)18/h7-9,14-15H,3-6,10H2,1-2H3,(H,22,24)/t14-,15-/m0/s1
InChIKeyQFBODVHEBPEOMQ-GJZGRUSLSA-N
MW426.89 g/mol
LogP3.58
Rot. Bonds5

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(1S,2S)-2-methylsulfonylcyclohexyl]amino]acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(1S,2S)-2-methylsulfonylcyclohexyl]amino]acetamide (PubChem CID 96522124) has the molecular formula C17H22ClF3N2O3S and a molecular weight of 426.89 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(1S,2S)-2-methylsulfonylcyclohexyl]amino]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(1S,2S)-2-methylsulfonylcyclohexyl]amino]acetamide
PubChem CID96522124
Molecular FormulaC17H22ClF3N2O3S
Molecular Weight426.89 g/mol
Exact Mass426.10
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(1S,2S)-2-methylsulfonylcyclohexyl]amino]acetamide
SMILESCN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCCC[C@@H]1S(C)(=O)=O
InChIInChI=1S/C17H22ClF3N2O3S/c1-23(14-5-3-4-6-15(14)27(2,25)26)10-16(24)22-13-9-11(17(19,20)21)7-8-12(13)18/h7-9,14-15H,3-6,10H2,1-2H3,(H,22,24)/t14-,15-/m0/s1
InChIKeyQFBODVHEBPEOMQ-GJZGRUSLSA-N
XLogP3.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.89
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(1S,2R)-2-methylsulfonylcyclohexyl]amino]acetamide
CID 124866260
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147795
2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 25249574
2-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 109006150
2-[benzenesulfonyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1315546
2-[acetyl(tert-butyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113166205
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8711935
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 126132614
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 45375126
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 92664037
2-[[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8588758
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30268924

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(1S,2S)-2-methylsulfonylcyclohexyl]amino]acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(1S,2S)-2-methylsulfonylcyclohexyl]amino]acetamide (CID 96522124) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(1S,2S)-2-methylsulfonylcyclohexyl]amino]acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(1S,2S)-2-methylsulfonylcyclohexyl]amino]acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(1S,2S)-2-methylsulfonylcyclohexyl]amino]acetamide is CN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCCC[C@@H]1S(C)(=O)=O.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(1S,2S)-2-methylsulfonylcyclohexyl]amino]acetamide?
The InChIKey is QFBODVHEBPEOMQ-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H22ClF3N2O3S/c1-23(14-5-3-4-6-15(14)27(2,25)26)10-16(24)22-13-9-11(17(19,20)21)7-8-12(13)18/h7-9,14-15H,3-6,10H2,1-2H3,(H,22,24)/t14-,15-/m0/s1.
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(1S,2S)-2-methylsulfonylcyclohexyl]amino]acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(1S,2S)-2-methylsulfonylcyclohexyl]amino]acetamide has a molecular weight of 426.89 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(1S,2S)-2-methylsulfonylcyclohexyl]amino]acetamide is sourced from PubChem (CID 96522124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).