2-pyridin-2-ylsulfanyl-N-tetradecylacetamide

C21H36N2OS — CID 2802554

IUPAC2-pyridin-2-ylsulfanyl-N-tetradecylacetamide
SMILESCCCCCCCCCCCCCCNC(=O)CSc1ccccn1
InChIInChI=1S/C21H36N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-22-20(24)19-25-21-16-13-15-18-23-21/h13,15-16,18H,2-12,14,17,19H2,1H3,(H,22,24)
InChIKeyBPLUSGYHXMRVAP-UHFFFAOYSA-N
MW364.60 g/mol
LogP5.99
Rot. Bonds16

About 2-pyridin-2-ylsulfanyl-N-tetradecylacetamide

2-pyridin-2-ylsulfanyl-N-tetradecylacetamide (PubChem CID 2802554) has the molecular formula C21H36N2OS and a molecular weight of 364.60 g/mol. Its IUPAC name is 2-pyridin-2-ylsulfanyl-N-tetradecylacetamide.

Molecular Properties

Compound Name2-pyridin-2-ylsulfanyl-N-tetradecylacetamide
PubChem CID2802554
Molecular FormulaC21H36N2OS
Molecular Weight364.60 g/mol
Exact Mass364.25
IUPAC Name2-pyridin-2-ylsulfanyl-N-tetradecylacetamide
SMILESCCCCCCCCCCCCCCNC(=O)CSc1ccccn1
InChIInChI=1S/C21H36N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-22-20(24)19-25-21-16-13-15-18-23-21/h13,15-16,18H,2-12,14,17,19H2,1H3,(H,22,24)
InChIKeyBPLUSGYHXMRVAP-UHFFFAOYSA-N
XLogP5.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.60
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxypropyl)-2-pyridin-2-ylsulfanylacetamide
CID 3260207
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide
CID 9347617
N'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide
CID 37063876
N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
CID 687330
3-(pyridin-2-yldisulfanyl)-N-[5-[3-(pyridin-2-yldisulfanyl)propanoylamino]pentyl]propanamide
CID 131993683
2-(1,3-benzoxazol-2-ylsulfanyl)-N-hexylacetamide
CID 51156174
S-pyridin-2-yl octanethioate
CID 13265438
N-carbamoyl-2-pyridin-2-ylsulfanylacetamide
CID 5147544
N-butyl-2-(2-hydroxyphenyl)sulfanylacetamide
CID 62028199
N-[(5-chlorothiophen-2-yl)methyl]-2-pyridin-2-ylsulfanylacetamide
CID 47287457
N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7027156
N-[(1R)-1-phenylethyl]-2-pyridin-2-ylsulfanylacetamide
CID 684786

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylsulfanyl-N-tetradecylacetamide?
The IUPAC name of 2-pyridin-2-ylsulfanyl-N-tetradecylacetamide (CID 2802554) is 2-pyridin-2-ylsulfanyl-N-tetradecylacetamide.
What is the SMILES notation for 2-pyridin-2-ylsulfanyl-N-tetradecylacetamide?
The canonical SMILES for 2-pyridin-2-ylsulfanyl-N-tetradecylacetamide is CCCCCCCCCCCCCCNC(=O)CSc1ccccn1.
What is the InChIKey of 2-pyridin-2-ylsulfanyl-N-tetradecylacetamide?
The InChIKey is BPLUSGYHXMRVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-22-20(24)19-25-21-16-13-15-18-23-21/h13,15-16,18H,2-12,14,17,19H2,1H3,(H,22,24).
What are the key properties of 2-pyridin-2-ylsulfanyl-N-tetradecylacetamide?
2-pyridin-2-ylsulfanyl-N-tetradecylacetamide has a molecular weight of 364.60 g/mol, XLogP of 5.99, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylsulfanyl-N-tetradecylacetamide is sourced from PubChem (CID 2802554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).