N-[2-(2-methylprop-2-enoxy)ethyl]-2-pyridin-4-ylsulfanylacetamide

C13H18N2O2S — CID 113258479

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-2-pyridin-4-ylsulfanylacetamide
SMILESC=C(C)COCCNC(=O)CSc1ccncc1
InChIInChI=1S/C13H18N2O2S/c1-11(2)9-17-8-7-15-13(16)10-18-12-3-5-14-6-4-12/h3-6H,1,7-10H2,2H3,(H,15,16)
InChIKeyNGXJSSDPIGEFBB-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.88
Rot. Bonds8

About N-[2-(2-methylprop-2-enoxy)ethyl]-2-pyridin-4-ylsulfanylacetamide

N-[2-(2-methylprop-2-enoxy)ethyl]-2-pyridin-4-ylsulfanylacetamide (PubChem CID 113258479) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-pyridin-4-ylsulfanylacetamide
PubChem CID113258479
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-pyridin-4-ylsulfanylacetamide
SMILESC=C(C)COCCNC(=O)CSc1ccncc1
InChIInChI=1S/C13H18N2O2S/c1-11(2)9-17-8-7-15-13(16)10-18-12-3-5-14-6-4-12/h3-6H,1,7-10H2,2H3,(H,15,16)
InChIKeyNGXJSSDPIGEFBB-UHFFFAOYSA-N
XLogP1.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115700002
N-(2-methylprop-2-enyl)-2-pyridin-4-ylsulfanylacetamide
CID 114618823
3-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid
CID 43354856
methyl 6-[(2-pyridin-4-ylsulfanylacetyl)amino]hexanoate
CID 43404633
N-(5-hydroxypentyl)-2-pyridin-4-ylsulfanylacetamide
CID 107318881
N-[2-(2-methylprop-2-enoxy)ethyl]-2-sulfanylacetamide
CID 114469847
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 113258400
6-[(2-pyridin-4-ylsulfanylacetyl)amino]hexanoic acid
CID 43352943
N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 115700214
N-(2-ethyl-2-hydroxybutyl)-2-pyridin-4-ylsulfanylacetamide
CID 65112733
N-(2-methoxyethoxy)-2-pyridin-4-ylsulfanylacetamide
CID 79676386
N-(3-hydroxy-2-methylpropyl)-2-pyridin-4-ylsulfanylacetamide
CID 65032260

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-pyridin-4-ylsulfanylacetamide (CID 113258479) is N-[2-(2-methylprop-2-enoxy)ethyl]-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-2-pyridin-4-ylsulfanylacetamide is C=C(C)COCCNC(=O)CSc1ccncc1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is NGXJSSDPIGEFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-11(2)9-17-8-7-15-13(16)10-18-12-3-5-14-6-4-12/h3-6H,1,7-10H2,2H3,(H,15,16).
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-2-pyridin-4-ylsulfanylacetamide?
N-[2-(2-methylprop-2-enoxy)ethyl]-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 266.37 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 113258479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).