N-cyclohexyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methylamino]acetamide

C22H31F3N2O3S — CID 51040515

IUPACN-cyclohexyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methylamino]acetamide
SMILESO=C(CNCC1CCC(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)NC1CCCCC1
InChIInChI=1S/C22H31F3N2O3S/c23-22(24,25)17-5-4-8-20(13-17)31(29,30)19-11-9-16(10-12-19)14-26-15-21(28)27-18-6-2-1-3-7-18/h4-5,8,13,16,18-19,26H,1-3,6-7,9-12,14-15H2,(H,27,28)
InChIKeyICFVJCYEMUFQFY-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.08
Rot. Bonds7

About N-cyclohexyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methylamino]acetamide

N-cyclohexyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methylamino]acetamide (PubChem CID 51040515) has the molecular formula C22H31F3N2O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-cyclohexyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methylamino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methylamino]acetamide
PubChem CID51040515
Molecular FormulaC22H31F3N2O3S
Molecular Weight460.56 g/mol
Exact Mass460.20
IUPAC NameN-cyclohexyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methylamino]acetamide
SMILESO=C(CNCC1CCC(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)NC1CCCCC1
InChIInChI=1S/C22H31F3N2O3S/c23-22(24,25)17-5-4-8-20(13-17)31(29,30)19-11-9-16(10-12-19)14-26-15-21(28)27-18-6-2-1-3-7-18/h4-5,8,13,16,18-19,26H,1-3,6-7,9-12,14-15H2,(H,27,28)
InChIKeyICFVJCYEMUFQFY-UHFFFAOYSA-N
XLogP4.08
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
CID 46889353
N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-(methylamino)acetamide
CID 46890884
N-cyclohexyl-3-(4-methylphenyl)sulfonylpropanamide
CID 759090
(S)-2-Amino-N-((S,E)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)propanamide
CID 10384666
N-cycloheptyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 4784487
N-cyclohexyl-2-[1-phenylethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 3546046
2-[benzyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclohexylacetamide
CID 15945371
N-cyclohexyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 17489420
(2S)-N-Cyclohexyl-1-[4-(trifluoromethyl)benzenesulfonyl]-2,5-dihydropyrrole-2-carboxamide
CID 46960173
N-(2-fluorobenzyl)-2-({1-[4-(methylsulfonyl)phenyl]ethyl}amino)acetamide
CID 50977096
N-[1-[2-(cyclohexylamino)acetyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide
CID 16755765
1-[4-[Ethyl-[1-[4-(trifluoromethylsulfonyl)phenyl]propan-2-yl]amino]butyl]piperazin-2-one
CID 21978450

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methylamino]acetamide?
The IUPAC name of N-cyclohexyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methylamino]acetamide (CID 51040515) is N-cyclohexyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methylamino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methylamino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methylamino]acetamide is O=C(CNCC1CCC(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methylamino]acetamide?
The InChIKey is ICFVJCYEMUFQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F3N2O3S/c23-22(24,25)17-5-4-8-20(13-17)31(29,30)19-11-9-16(10-12-19)14-26-15-21(28)27-18-6-2-1-3-7-18/h4-5,8,13,16,18-19,26H,1-3,6-7,9-12,14-15H2,(H,27,28).
What are the key properties of N-cyclohexyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methylamino]acetamide?
N-cyclohexyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methylamino]acetamide has a molecular weight of 460.56 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methylamino]acetamide is sourced from PubChem (CID 51040515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).