N-(2-ethyl-2-hydroxybutyl)-2-pyridin-4-ylsulfanylacetamide

C13H20N2O2S — CID 65112733

IUPACN-(2-ethyl-2-hydroxybutyl)-2-pyridin-4-ylsulfanylacetamide
SMILESCCC(O)(CC)CNC(=O)CSc1ccncc1
InChIInChI=1S/C13H20N2O2S/c1-3-13(17,4-2)10-15-12(16)9-18-11-5-7-14-8-6-11/h5-8,17H,3-4,9-10H2,1-2H3,(H,15,16)
InChIKeyHZLIBSBIPYMOHB-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.84
Rot. Bonds7

About N-(2-ethyl-2-hydroxybutyl)-2-pyridin-4-ylsulfanylacetamide

N-(2-ethyl-2-hydroxybutyl)-2-pyridin-4-ylsulfanylacetamide (PubChem CID 65112733) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-2-pyridin-4-ylsulfanylacetamide
PubChem CID65112733
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-2-pyridin-4-ylsulfanylacetamide
SMILESCCC(O)(CC)CNC(=O)CSc1ccncc1
InChIInChI=1S/C13H20N2O2S/c1-3-13(17,4-2)10-15-12(16)9-18-11-5-7-14-8-6-11/h5-8,17H,3-4,9-10H2,1-2H3,(H,15,16)
InChIKeyHZLIBSBIPYMOHB-UHFFFAOYSA-N
XLogP1.84
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methylbutyl)-2-pyridin-4-ylsulfanylacetamide
CID 65115027
2-(4-chlorophenyl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65113544
2,2-dimethyl-3-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid
CID 113307726
N-(2-methylprop-2-enyl)-2-pyridin-4-ylsulfanylacetamide
CID 114618823
N-(2-ethyl-2-hydroxybutyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 65112402
N-(3-hydroxy-2-methylpropyl)-2-pyridin-4-ylsulfanylacetamide
CID 65032260
3-methyl-2-[[(2-pyridin-4-ylsulfanylacetyl)amino]methyl]butanoic acid
CID 65220146
3-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid
CID 43354856
N-[(2R)-2-(ethylamino)propyl]-2-pyridin-4-ylsulfanylacetamide;hydrochloride
CID 120650682
N-[(2S)-butan-2-yl]-2-pyridin-4-ylsulfanylacetamide
CID 94102095
N-(2-ethyl-2-hydroxybutyl)-2-propylsulfanylacetamide
CID 111463255
N-(5-hydroxypentyl)-2-pyridin-4-ylsulfanylacetamide
CID 107318881

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-pyridin-4-ylsulfanylacetamide (CID 65112733) is N-(2-ethyl-2-hydroxybutyl)-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-2-pyridin-4-ylsulfanylacetamide is CCC(O)(CC)CNC(=O)CSc1ccncc1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is HZLIBSBIPYMOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-13(17,4-2)10-15-12(16)9-18-11-5-7-14-8-6-11/h5-8,17H,3-4,9-10H2,1-2H3,(H,15,16).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-2-pyridin-4-ylsulfanylacetamide?
N-(2-ethyl-2-hydroxybutyl)-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 268.38 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 65112733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).