2-[[4-chloro-3-(trifluoromethoxy)phenyl]methylsulfanyl]-2-cyclopentylacetamide

C15H17ClF3NO2S — CID 162644479

IUPAC2-[[4-chloro-3-(trifluoromethoxy)phenyl]methylsulfanyl]-2-cyclopentylacetamide
SMILESNC(=O)C(SCc1ccc(Cl)c(OC(F)(F)F)c1)C1CCCC1
InChIInChI=1S/C15H17ClF3NO2S/c16-11-6-5-9(7-12(11)22-15(17,18)19)8-23-13(14(20)21)10-3-1-2-4-10/h5-7,10,13H,1-4,8H2,(H2,20,21)
InChIKeyLCZUCLRZIIFBGW-UHFFFAOYSA-N
MW367.82 g/mol
LogP4.52
Rot. Bonds6

About 2-[[4-chloro-3-(trifluoromethoxy)phenyl]methylsulfanyl]-2-cyclopentylacetamide

2-[[4-chloro-3-(trifluoromethoxy)phenyl]methylsulfanyl]-2-cyclopentylacetamide (PubChem CID 162644479) has the molecular formula C15H17ClF3NO2S and a molecular weight of 367.82 g/mol. Its IUPAC name is 2-[[4-chloro-3-(trifluoromethoxy)phenyl]methylsulfanyl]-2-cyclopentylacetamide.

Molecular Properties

Compound Name2-[[4-chloro-3-(trifluoromethoxy)phenyl]methylsulfanyl]-2-cyclopentylacetamide
PubChem CID162644479
Molecular FormulaC15H17ClF3NO2S
Molecular Weight367.82 g/mol
Exact Mass367.06
IUPAC Name2-[[4-chloro-3-(trifluoromethoxy)phenyl]methylsulfanyl]-2-cyclopentylacetamide
SMILESNC(=O)C(SCc1ccc(Cl)c(OC(F)(F)F)c1)C1CCCC1
InChIInChI=1S/C15H17ClF3NO2S/c16-11-6-5-9(7-12(11)22-15(17,18)19)8-23-13(14(20)21)10-3-1-2-4-10/h5-7,10,13H,1-4,8H2,(H2,20,21)
InChIKeyLCZUCLRZIIFBGW-UHFFFAOYSA-N
XLogP4.52
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.82
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-chloro-3-(trifluoromethoxy)phenyl]methyl piperazine-1-carboxylate
CID 66720697
ethyl 3-[4-chloro-3-(trifluoromethoxy)phenyl]propanoate
CID 134632674
N-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine
CID 66670220
[3-chloro-4-(trifluoromethoxy)phenyl]methyl piperidine-1-carboxylate
CID 66720549
N-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]-2-oxobutanamide
CID 159882631
2-(cyclopentylamino)-2-[2-(trifluoromethoxy)phenyl]acetamide
CID 61001989
2-cyclohexyl-2-(2,4-dichlorophenoxy)acetamide
CID 174882059
(1S,2R)-2-amino-1-cyclopentyl-2-[2-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171160319
(S)-cyclopentyl-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine
CID 171227912
(1S,2R)-2-amino-2-[5-bromo-2-(trifluoromethoxy)phenyl]-1-cyclopentylethanol
CID 171263460
1-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine
CID 118560463
2-amino-4-chloro-5-(trifluoromethoxy)benzamide
CID 119015619

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-3-(trifluoromethoxy)phenyl]methylsulfanyl]-2-cyclopentylacetamide?
The IUPAC name of 2-[[4-chloro-3-(trifluoromethoxy)phenyl]methylsulfanyl]-2-cyclopentylacetamide (CID 162644479) is 2-[[4-chloro-3-(trifluoromethoxy)phenyl]methylsulfanyl]-2-cyclopentylacetamide.
What is the SMILES notation for 2-[[4-chloro-3-(trifluoromethoxy)phenyl]methylsulfanyl]-2-cyclopentylacetamide?
The canonical SMILES for 2-[[4-chloro-3-(trifluoromethoxy)phenyl]methylsulfanyl]-2-cyclopentylacetamide is NC(=O)C(SCc1ccc(Cl)c(OC(F)(F)F)c1)C1CCCC1.
What is the InChIKey of 2-[[4-chloro-3-(trifluoromethoxy)phenyl]methylsulfanyl]-2-cyclopentylacetamide?
The InChIKey is LCZUCLRZIIFBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF3NO2S/c16-11-6-5-9(7-12(11)22-15(17,18)19)8-23-13(14(20)21)10-3-1-2-4-10/h5-7,10,13H,1-4,8H2,(H2,20,21).
What are the key properties of 2-[[4-chloro-3-(trifluoromethoxy)phenyl]methylsulfanyl]-2-cyclopentylacetamide?
2-[[4-chloro-3-(trifluoromethoxy)phenyl]methylsulfanyl]-2-cyclopentylacetamide has a molecular weight of 367.82 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-3-(trifluoromethoxy)phenyl]methylsulfanyl]-2-cyclopentylacetamide is sourced from PubChem (CID 162644479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).