2-(1-hydroxycyclopentyl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide

C14H16F3NO2S — CID 111537718

IUPAC2-(1-hydroxycyclopentyl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
SMILESO=C(CC1(O)CCCC1)Nc1ccccc1SC(F)(F)F
InChIInChI=1S/C14H16F3NO2S/c15-14(16,17)21-11-6-2-1-5-10(11)18-12(19)9-13(20)7-3-4-8-13/h1-2,5-6,20H,3-4,7-9H2,(H,18,19)
InChIKeyFWPUMOCGFAIQEB-UHFFFAOYSA-N
MW319.35 g/mol
LogP3.93
Rot. Bonds4

About 2-(1-hydroxycyclopentyl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide

2-(1-hydroxycyclopentyl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide (PubChem CID 111537718) has the molecular formula C14H16F3NO2S and a molecular weight of 319.35 g/mol. Its IUPAC name is 2-(1-hydroxycyclopentyl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclopentyl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
PubChem CID111537718
Molecular FormulaC14H16F3NO2S
Molecular Weight319.35 g/mol
Exact Mass319.09
IUPAC Name2-(1-hydroxycyclopentyl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
SMILESO=C(CC1(O)CCCC1)Nc1ccccc1SC(F)(F)F
InChIInChI=1S/C14H16F3NO2S/c15-14(16,17)21-11-6-2-1-5-10(11)18-12(19)9-13(20)7-3-4-8-13/h1-2,5-6,20H,3-4,7-9H2,(H,18,19)
InChIKeyFWPUMOCGFAIQEB-UHFFFAOYSA-N
XLogP3.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxycyclopentyl)-N-(2-methylsulfanylphenyl)acetamide
CID 111536466
N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111432184
2-(1-hydroxycyclopentyl)-N-(2-hydroxyphenyl)acetamide
CID 111430337
1-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide
CID 60866344
N-(2-ethylphenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111430432
N-[2-(2-cyanopropylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111538250
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(trifluoromethylsulfanyl)phenyl]urea
CID 111573146
N-[2-(difluoromethoxy)phenyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111331721
2-(cyclopropylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
CID 60841801
N-(2,3-difluorophenyl)-2-(1-hydroxycyclohexyl)acetamide
CID 111537333
2-tert-butylsulfanyl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
CID 78878752
2-(1-hydroxycyclopentyl)-N-(2-propylphenyl)acetamide
CID 111536639

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclopentyl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(1-hydroxycyclopentyl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide (CID 111537718) is 2-(1-hydroxycyclopentyl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclopentyl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclopentyl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide is O=C(CC1(O)CCCC1)Nc1ccccc1SC(F)(F)F.
What is the InChIKey of 2-(1-hydroxycyclopentyl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is FWPUMOCGFAIQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2S/c15-14(16,17)21-11-6-2-1-5-10(11)18-12(19)9-13(20)7-3-4-8-13/h1-2,5-6,20H,3-4,7-9H2,(H,18,19).
What are the key properties of 2-(1-hydroxycyclopentyl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide?
2-(1-hydroxycyclopentyl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 319.35 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclopentyl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 111537718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).