2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide

C14H14N2OS — CID 801588

IUPAC2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(CSc1ccccc1)NCc1ccncc1
InChIInChI=1S/C14H14N2OS/c17-14(11-18-13-4-2-1-3-5-13)16-10-12-6-8-15-9-7-12/h1-9H,10-11H2,(H,16,17)
InChIKeyQYEDVSZOGWOIHJ-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.49
Rot. Bonds5

About 2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide

2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 801588) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
PubChem CID801588
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(CSc1ccccc1)NCc1ccncc1
InChIInChI=1S/C14H14N2OS/c17-14(11-18-13-4-2-1-3-5-13)16-10-12-6-8-15-9-7-12/h1-9H,10-11H2,(H,16,17)
InChIKeyQYEDVSZOGWOIHJ-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(bromomethyl)phenyl]methyl]-2-phenylsulfanylacetamide
CID 107233586
N-[[4-(chloromethyl)phenyl]methyl]-2-phenylsulfanylacetamide
CID 107233249
N-[[2-(hydroxymethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 110908962
N-[[4-(2-aminoethyl)phenyl]methyl]-2-phenylsulfanylacetamide
CID 62501307
N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 86926259
2-phenylsulfanyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 167764922
N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320624
3-[[(2-phenylsulfanylacetyl)amino]methyl]benzoic acid
CID 60894962
2-phenylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43909294
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 36949894
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylsulfanylacetamide
CID 11474857
2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 4230015

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide (CID 801588) is 2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide is O=C(CSc1ccccc1)NCc1ccncc1.
What is the InChIKey of 2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is QYEDVSZOGWOIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c17-14(11-18-13-4-2-1-3-5-13)16-10-12-6-8-15-9-7-12/h1-9H,10-11H2,(H,16,17).
What are the key properties of 2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide?
2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 258.35 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 801588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).