N-phenyl-2-(pyridin-2-ylmethylsulfanyl)acetamide

C14H14N2OS — CID 650720

IUPACN-phenyl-2-(pyridin-2-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1ccccn1)Nc1ccccc1
InChIInChI=1S/C14H14N2OS/c17-14(16-12-6-2-1-3-7-12)11-18-10-13-8-4-5-9-15-13/h1-9H,10-11H2,(H,16,17)
InChIKeyYTAYNQHQGORWCD-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.95
Rot. Bonds5

About N-phenyl-2-(pyridin-2-ylmethylsulfanyl)acetamide

N-phenyl-2-(pyridin-2-ylmethylsulfanyl)acetamide (PubChem CID 650720) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is N-phenyl-2-(pyridin-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-phenyl-2-(pyridin-2-ylmethylsulfanyl)acetamide
PubChem CID650720
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC NameN-phenyl-2-(pyridin-2-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1ccccn1)Nc1ccccc1
InChIInChI=1S/C14H14N2OS/c17-14(16-12-6-2-1-3-7-12)11-18-10-13-8-4-5-9-15-13/h1-9H,10-11H2,(H,16,17)
InChIKeyYTAYNQHQGORWCD-UHFFFAOYSA-N
XLogP2.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 759327
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(Z)-5-(pyridin-2-ylmethylene)thiazolidine-2,4-dione
CID 1204987
3-Phenyl-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2731886
N-phenyl-N'-pyridin-3-yloxamide
CID 1949535
2-phenylthio-N-(3-pyridylmethyl)acetamide
CID 800469
N-(pyridin-2-ylmethyl)acetamide
CID 5084090
ST4014630
CID 684061
N-cyclopentyl-2-(pyridin-2-ylsulfanyl)acetamide
CID 2303967
N-cyclohexyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2413718
N-phenyl-2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 2746659
3-(2-Fluorophenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 5043540

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-phenyl-2-(pyridin-2-ylmethylsulfanyl)acetamide (CID 650720) is N-phenyl-2-(pyridin-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-phenyl-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-phenyl-2-(pyridin-2-ylmethylsulfanyl)acetamide is O=C(CSCc1ccccn1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The InChIKey is YTAYNQHQGORWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c17-14(16-12-6-2-1-3-7-12)11-18-10-13-8-4-5-9-15-13/h1-9H,10-11H2,(H,16,17).
What are the key properties of N-phenyl-2-(pyridin-2-ylmethylsulfanyl)acetamide?
N-phenyl-2-(pyridin-2-ylmethylsulfanyl)acetamide has a molecular weight of 258.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(pyridin-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 650720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).