2-(1-hydroxycyclopentyl)-N-(2-methylsulfanylphenyl)acetamide

C14H19NO2S — CID 111536466

IUPAC2-(1-hydroxycyclopentyl)-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CC1(O)CCCC1
InChIInChI=1S/C14H19NO2S/c1-18-12-7-3-2-6-11(12)15-13(16)10-14(17)8-4-5-9-14/h2-3,6-7,17H,4-5,8-10H2,1H3,(H,15,16)
InChIKeyWREMYQCKNNKSHR-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.04
Rot. Bonds4

About 2-(1-hydroxycyclopentyl)-N-(2-methylsulfanylphenyl)acetamide

2-(1-hydroxycyclopentyl)-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 111536466) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-(1-hydroxycyclopentyl)-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclopentyl)-N-(2-methylsulfanylphenyl)acetamide
PubChem CID111536466
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name2-(1-hydroxycyclopentyl)-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CC1(O)CCCC1
InChIInChI=1S/C14H19NO2S/c1-18-12-7-3-2-6-11(12)15-13(16)10-14(17)8-4-5-9-14/h2-3,6-7,17H,4-5,8-10H2,1H3,(H,15,16)
InChIKeyWREMYQCKNNKSHR-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111432184
2-(1-hydroxycyclopentyl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
CID 111537718
2-(1-hydroxycyclopentyl)-N-(2-hydroxyphenyl)acetamide
CID 111430337
N-(2-ethylphenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111430432
N-[2-(2-cyanopropylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111538250
2-[1-(aminomethyl)cyclobutyl]-N-(2-methylsulfanylphenyl)acetamide
CID 81179881
2-(1-hydroxycyclohexyl)-N-(2-methoxyphenyl)acetamide
CID 111331493
N-(2-ethoxyphenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111432228
N-(2,3-difluorophenyl)-2-(1-hydroxycyclohexyl)acetamide
CID 111537333
N-[2-(difluoromethoxy)phenyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111331721
3-cyclopentyl-N-(2-methylsulfanylphenyl)propanamide
CID 112789217
N-[2,6-di(propan-2-yl)phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111432461

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclopentyl)-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(1-hydroxycyclopentyl)-N-(2-methylsulfanylphenyl)acetamide (CID 111536466) is 2-(1-hydroxycyclopentyl)-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(1-hydroxycyclopentyl)-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(1-hydroxycyclopentyl)-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CC1(O)CCCC1.
What is the InChIKey of 2-(1-hydroxycyclopentyl)-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is WREMYQCKNNKSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-18-12-7-3-2-6-11(12)15-13(16)10-14(17)8-4-5-9-14/h2-3,6-7,17H,4-5,8-10H2,1H3,(H,15,16).
What are the key properties of 2-(1-hydroxycyclopentyl)-N-(2-methylsulfanylphenyl)acetamide?
2-(1-hydroxycyclopentyl)-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 265.38 g/mol, XLogP of 3.04, 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-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 111536466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).