N-[2-[[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]ethyl]benzamide

C17H19N3O2S — CID 51085850

IUPACN-[2-[[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]ethyl]benzamide
SMILESO=C(CSCc1ccccn1)NCCNC(=O)c1ccccc1
InChIInChI=1S/C17H19N3O2S/c21-16(13-23-12-15-8-4-5-9-18-15)19-10-11-20-17(22)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,19,21)(H,20,22)
InChIKeyZZVFGXKXOHEAPW-UHFFFAOYSA-N
MW329.43 g/mol
LogP1.86
Rot. Bonds8

About N-[2-[[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]ethyl]benzamide

N-[2-[[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]ethyl]benzamide (PubChem CID 51085850) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[2-[[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]ethyl]benzamide
PubChem CID51085850
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[2-[[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]ethyl]benzamide
SMILESO=C(CSCc1ccccn1)NCCNC(=O)c1ccccc1
InChIInChI=1S/C17H19N3O2S/c21-16(13-23-12-15-8-4-5-9-18-15)19-10-11-20-17(22)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,19,21)(H,20,22)
InChIKeyZZVFGXKXOHEAPW-UHFFFAOYSA-N
XLogP1.86
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 110901516
N-(2-hydroxypropyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 110901648
N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
CID 17154422
N-[2-(methylamino)propyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 120827351
N-(2-hydroxy-2,3-dimethylbutyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 111484028
2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(2-pyridin-2-ylethyl)acetamide
CID 87000849
N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
CID 9414555
N-[2-(methylamino)ethyl]-3-(pyridin-2-ylmethylsulfanyl)propanamide;dihydrochloride
CID 119503687
2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide
CID 7784841
2-(pyridin-2-ylmethylsulfanyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 55822727
N-(2-piperidin-3-ylethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride
CID 119556484
N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 31658784

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]ethyl]benzamide?
The IUPAC name of N-[2-[[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]ethyl]benzamide (CID 51085850) is N-[2-[[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]ethyl]benzamide.
What is the SMILES notation for N-[2-[[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]ethyl]benzamide?
The canonical SMILES for N-[2-[[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]ethyl]benzamide is O=C(CSCc1ccccn1)NCCNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]ethyl]benzamide?
The InChIKey is ZZVFGXKXOHEAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-16(13-23-12-15-8-4-5-9-18-15)19-10-11-20-17(22)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-[[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]ethyl]benzamide?
N-[2-[[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]ethyl]benzamide has a molecular weight of 329.43 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]ethyl]benzamide is sourced from PubChem (CID 51085850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).