N-[4-(2-hydroxycyclopentyl)sulfanylphenyl]acetamide

C13H17NO2S — CID 60713577

IUPACN-[4-(2-hydroxycyclopentyl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SC2CCCC2O)cc1
InChIInChI=1S/C13H17NO2S/c1-9(15)14-10-5-7-11(8-6-10)17-13-4-2-3-12(13)16/h5-8,12-13,16H,2-4H2,1H3,(H,14,15)
InChIKeyGGAKPNIQPNAMCN-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.65
Rot. Bonds3

About N-[4-(2-hydroxycyclopentyl)sulfanylphenyl]acetamide

N-[4-(2-hydroxycyclopentyl)sulfanylphenyl]acetamide (PubChem CID 60713577) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-[4-(2-hydroxycyclopentyl)sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-hydroxycyclopentyl)sulfanylphenyl]acetamide
PubChem CID60713577
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC NameN-[4-(2-hydroxycyclopentyl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SC2CCCC2O)cc1
InChIInChI=1S/C13H17NO2S/c1-9(15)14-10-5-7-11(8-6-10)17-13-4-2-3-12(13)16/h5-8,12-13,16H,2-4H2,1H3,(H,14,15)
InChIKeyGGAKPNIQPNAMCN-UHFFFAOYSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-aminocyclohexyl)sulfanylphenyl]acetamide
CID 64648961
trans-(1R,2R)-2-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-ol
CID 102735746
N-[4-(2-amino-5,5-dimethylcyclohexyl)sulfanylphenyl]acetamide
CID 64649552
acetylene;N-(4-cyclopropylsulfanylphenyl)acetamide;pyrrolidine
CID 143596211
N-[4-[5-ethyl-2-(methylamino)cyclohexyl]sulfanylphenyl]acetamide
CID 64648574
N-[4-[2-methyl-3-(propylamino)cyclopentyl]sulfanylphenyl]acetamide
CID 64905120
cis-(1S,2R)-2-(4-tert-butylphenyl)sulfanylcycloheptan-1-ol
CID 67839254
N-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]phenyl]acetamide
CID 64648963
N-[4-[4-(ethylamino)oxan-3-yl]sulfanylphenyl]acetamide
CID 64648380
N-[4-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-ylsulfanyl)phenyl]acetamide
CID 142919535
N-[4-[3-(4-acetamidophenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 19630691
N-[4-[(4R)-4-methyloxolan-2-yl]sulfanylphenyl]acetamide
CID 155795563

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxycyclopentyl)sulfanylphenyl]acetamide?
The IUPAC name of N-[4-(2-hydroxycyclopentyl)sulfanylphenyl]acetamide (CID 60713577) is N-[4-(2-hydroxycyclopentyl)sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-(2-hydroxycyclopentyl)sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-(2-hydroxycyclopentyl)sulfanylphenyl]acetamide is CC(=O)Nc1ccc(SC2CCCC2O)cc1.
What is the InChIKey of N-[4-(2-hydroxycyclopentyl)sulfanylphenyl]acetamide?
The InChIKey is GGAKPNIQPNAMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-9(15)14-10-5-7-11(8-6-10)17-13-4-2-3-12(13)16/h5-8,12-13,16H,2-4H2,1H3,(H,14,15).
What are the key properties of N-[4-(2-hydroxycyclopentyl)sulfanylphenyl]acetamide?
N-[4-(2-hydroxycyclopentyl)sulfanylphenyl]acetamide has a molecular weight of 251.35 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxycyclopentyl)sulfanylphenyl]acetamide is sourced from PubChem (CID 60713577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).