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

C14H17F2NO2S — CID 111432184

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide
SMILESO=C(CC1(O)CCCC1)Nc1ccccc1SC(F)F
InChIInChI=1S/C14H17F2NO2S/c15-13(16)20-11-6-2-1-5-10(11)17-12(18)9-14(19)7-3-4-8-14/h1-2,5-6,13,19H,3-4,7-9H2,(H,17,18)
InChIKeyNBTGPUZQVRJFMU-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.63
Rot. Bonds5

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

N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide (PubChem CID 111432184) has the molecular formula C14H17F2NO2S and a molecular weight of 301.36 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide
PubChem CID111432184
Molecular FormulaC14H17F2NO2S
Molecular Weight301.36 g/mol
Exact Mass301.09
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide
SMILESO=C(CC1(O)CCCC1)Nc1ccccc1SC(F)F
InChIInChI=1S/C14H17F2NO2S/c15-13(16)20-11-6-2-1-5-10(11)17-12(18)9-14(19)7-3-4-8-14/h1-2,5-6,13,19H,3-4,7-9H2,(H,17,18)
InChIKeyNBTGPUZQVRJFMU-UHFFFAOYSA-N
XLogP3.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxycyclopentyl)-N-(2-methylsulfanylphenyl)acetamide
CID 111536466
2-(1-hydroxycyclopentyl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
CID 111537718
2-(1-hydroxycyclopentyl)-N-(2-hydroxyphenyl)acetamide
CID 111430337
N-[2-(difluoromethoxy)phenyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111331721
2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 63678703
N-(2-ethylphenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111430432
N-[2-(2-cyanopropylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111538250
N-(2,3-difluorophenyl)-2-(1-hydroxycyclohexyl)acetamide
CID 111537333
N-[2-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide
CID 52896199
2-(1-hydroxycyclopentyl)-N-(2-propylphenyl)acetamide
CID 111536639
2-(1-hydroxycyclohexyl)-N-(2-methoxyphenyl)acetamide
CID 111331493
N-[2-(difluoromethylsulfanyl)phenyl]-4-(methylamino)butanamide
CID 60842031

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide (CID 111432184) is N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide is O=C(CC1(O)CCCC1)Nc1ccccc1SC(F)F.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide?
The InChIKey is NBTGPUZQVRJFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2S/c15-13(16)20-11-6-2-1-5-10(11)17-12(18)9-14(19)7-3-4-8-14/h1-2,5-6,13,19H,3-4,7-9H2,(H,17,18).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide?
N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide has a molecular weight of 301.36 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide is sourced from PubChem (CID 111432184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).