N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-(3-hydroxyphenyl)acetamide

C15H21NO2S — CID 95990381

IUPACN-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-(3-hydroxyphenyl)acetamide
SMILESCCS[C@H]1CC[C@H](NC(=O)Cc2cccc(O)c2)C1
InChIInChI=1S/C15H21NO2S/c1-2-19-14-7-6-12(10-14)16-15(18)9-11-4-3-5-13(17)8-11/h3-5,8,12,14,17H,2,6-7,9-10H2,1H3,(H,16,18)/t12-,14-/m0/s1
InChIKeyLKVCMUNHLKRTMV-JSGCOSHPSA-N
MW279.40 g/mol
LogP2.73
Rot. Bonds5

About N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-(3-hydroxyphenyl)acetamide

N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-(3-hydroxyphenyl)acetamide (PubChem CID 95990381) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-(3-hydroxyphenyl)acetamide
PubChem CID95990381
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-(3-hydroxyphenyl)acetamide
SMILESCCS[C@H]1CC[C@H](NC(=O)Cc2cccc(O)c2)C1
InChIInChI=1S/C15H21NO2S/c1-2-19-14-7-6-12(10-14)16-15(18)9-11-4-3-5-13(17)8-11/h3-5,8,12,14,17H,2,6-7,9-10H2,1H3,(H,16,18)/t12-,14-/m0/s1
InChIKeyLKVCMUNHLKRTMV-JSGCOSHPSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxyphenyl)-N-(4-methylcycloheptyl)acetamide
CID 102809381
3-(2-aminophenyl)-N-(3-ethylsulfanylcyclopentyl)propanamide
CID 107329607
3-[(1S,3R)-3-ethylsulfanylcyclopentyl]-1-[(4-hydroxyphenyl)methyl]-1-methylurea
CID 97029971
N-(3-ethylsulfanylcyclopentyl)-4-oxopentanamide
CID 103713860
N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
CID 103709498
2-(3-hydroxyphenyl)-N-(thian-3-yl)acetamide
CID 115675030
1-ethyl-2-[(3-hydroxyphenyl)methyl]-3-(3-methylsulfanylcyclopentyl)guanidine;hydroiodide
CID 111528812
3-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
CID 106544630
2-(3-hydroxyphenyl)-N-(2-methylcyclopentyl)acetamide
CID 63279410
N-(2,3-dimethylcyclopentyl)-2-(3-hydroxyphenyl)acetamide
CID 64921822
N-(1,1-dioxothian-3-yl)-2-(3-hydroxyphenyl)acetamide
CID 63921976
2-(4-cyanophenoxy)-N-(3-ethylsulfanylcyclopentyl)acetamide
CID 103709536

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-(3-hydroxyphenyl)acetamide (CID 95990381) is N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-(3-hydroxyphenyl)acetamide is CCS[C@H]1CC[C@H](NC(=O)Cc2cccc(O)c2)C1.
What is the InChIKey of N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-(3-hydroxyphenyl)acetamide?
The InChIKey is LKVCMUNHLKRTMV-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-2-19-14-7-6-12(10-14)16-15(18)9-11-4-3-5-13(17)8-11/h3-5,8,12,14,17H,2,6-7,9-10H2,1H3,(H,16,18)/t12-,14-/m0/s1.
What are the key properties of N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-(3-hydroxyphenyl)acetamide?
N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-(3-hydroxyphenyl)acetamide has a molecular weight of 279.40 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 95990381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).