N-(4-cyclopentylsulfanylphenyl)-4-hydroxybutanamide

C15H21NO2S — CID 79200166

IUPACN-(4-cyclopentylsulfanylphenyl)-4-hydroxybutanamide
SMILESO=C(CCCO)Nc1ccc(SC2CCCC2)cc1
InChIInChI=1S/C15H21NO2S/c17-11-3-6-15(18)16-12-7-9-14(10-8-12)19-13-4-1-2-5-13/h7-10,13,17H,1-6,11H2,(H,16,18)
InChIKeyQZTVCSSLHDDSNU-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.43
Rot. Bonds6

About N-(4-cyclopentylsulfanylphenyl)-4-hydroxybutanamide

N-(4-cyclopentylsulfanylphenyl)-4-hydroxybutanamide (PubChem CID 79200166) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-(4-cyclopentylsulfanylphenyl)-4-hydroxybutanamide.

Molecular Properties

Compound NameN-(4-cyclopentylsulfanylphenyl)-4-hydroxybutanamide
PubChem CID79200166
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC NameN-(4-cyclopentylsulfanylphenyl)-4-hydroxybutanamide
SMILESO=C(CCCO)Nc1ccc(SC2CCCC2)cc1
InChIInChI=1S/C15H21NO2S/c17-11-3-6-15(18)16-12-7-9-14(10-8-12)19-13-4-1-2-5-13/h7-10,13,17H,1-6,11H2,(H,16,18)
InChIKeyQZTVCSSLHDDSNU-UHFFFAOYSA-N
XLogP3.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(4-cyclopentylsulfanylphenyl)propanamide
CID 43710113
2-chloro-N-(4-cyclopentylsulfanylphenyl)acetamide
CID 43700029
4-hydroxy-N-(4-methylsulfanylphenyl)butanamide
CID 79204834
N-(4-cyclopentylsulfanylphenyl)cyclopentanecarboxamide
CID 37400543
N-[4-(4-hydroxybutanoylamino)phenyl]cyclopropanecarboxamide
CID 79193047
1-tert-butyl-3-(4-cyclopentylsulfanylphenyl)urea
CID 112840313
N-(4-cyclopentylsulfanylphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 46423104
2-(5-amino-2-pyridinyl)-N-(4-cyclopentylsulfanylphenyl)acetamide
CID 120623308
2-(4-cyclopentylsulfanylanilino)acetamide
CID 96676524
N-(4-cyclopentylsulfanylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 94070420
N-(4-cyclopentylsulfanylphenyl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 94070419
(2R)-2-amino-N-(4-cyclopentylsulfanylphenyl)propanamide;hydrochloride
CID 119293414

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylsulfanylphenyl)-4-hydroxybutanamide?
The IUPAC name of N-(4-cyclopentylsulfanylphenyl)-4-hydroxybutanamide (CID 79200166) is N-(4-cyclopentylsulfanylphenyl)-4-hydroxybutanamide.
What is the SMILES notation for N-(4-cyclopentylsulfanylphenyl)-4-hydroxybutanamide?
The canonical SMILES for N-(4-cyclopentylsulfanylphenyl)-4-hydroxybutanamide is O=C(CCCO)Nc1ccc(SC2CCCC2)cc1.
What is the InChIKey of N-(4-cyclopentylsulfanylphenyl)-4-hydroxybutanamide?
The InChIKey is QZTVCSSLHDDSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c17-11-3-6-15(18)16-12-7-9-14(10-8-12)19-13-4-1-2-5-13/h7-10,13,17H,1-6,11H2,(H,16,18).
What are the key properties of N-(4-cyclopentylsulfanylphenyl)-4-hydroxybutanamide?
N-(4-cyclopentylsulfanylphenyl)-4-hydroxybutanamide has a molecular weight of 279.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentylsulfanylphenyl)-4-hydroxybutanamide is sourced from PubChem (CID 79200166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).