3-(methylsulfinylmethyl)-N-pyridin-2-ylbenzamide

C14H14N2O2S — CID 46511648

IUPAC3-(methylsulfinylmethyl)-N-pyridin-2-ylbenzamide
SMILESCS(=O)Cc1cccc(C(=O)Nc2ccccn2)c1
InChIInChI=1S/C14H14N2O2S/c1-19(18)10-11-5-4-6-12(9-11)14(17)16-13-7-2-3-8-15-13/h2-9H,10H2,1H3,(H,15,16,17)
InChIKeyJUVIWIPPSUKUKW-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.21
Rot. Bonds4

About 3-(methylsulfinylmethyl)-N-pyridin-2-ylbenzamide

3-(methylsulfinylmethyl)-N-pyridin-2-ylbenzamide (PubChem CID 46511648) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 3-(methylsulfinylmethyl)-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name3-(methylsulfinylmethyl)-N-pyridin-2-ylbenzamide
PubChem CID46511648
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name3-(methylsulfinylmethyl)-N-pyridin-2-ylbenzamide
SMILESCS(=O)Cc1cccc(C(=O)Nc2ccccn2)c1
InChIInChI=1S/C14H14N2O2S/c1-19(18)10-11-5-4-6-12(9-11)14(17)16-13-7-2-3-8-15-13/h2-9H,10H2,1H3,(H,15,16,17)
InChIKeyJUVIWIPPSUKUKW-UHFFFAOYSA-N
XLogP2.21
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-pyridin-2-ylbenzamide
CID 16774754
3-(methylsulfinylmethyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 46550377
N-(4-acetylphenyl)-3-(methylsulfinylmethyl)benzamide
CID 134032815
N-[3-(methylcarbamoyl)phenyl]-3-(methylsulfinylmethyl)benzamide
CID 18146301
3-(methylsulfinylmethyl)-N-[2-(triazol-1-yl)phenyl]benzamide
CID 75517599
N-(2-hydroxy-2-phenylpropyl)-3-(methylsulfinylmethyl)benzamide
CID 111334878
N-[3-(ethylaminomethyl)phenyl]-3-(methylsulfinylmethyl)benzamide
CID 119438044
N-[4-(3-methylbutanoylamino)phenyl]-3-(methylsulfinylmethyl)benzamide
CID 134001886
pyrazine;N-pyridin-2-ylbenzamide
CID 158820949
3-[(3-bromobenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 3548444
3,4-diethoxy-N-pyridin-2-ylbenzamide
CID 4520194
3-N-[(1S)-1-phenylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide
CID 10958899

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfinylmethyl)-N-pyridin-2-ylbenzamide?
The IUPAC name of 3-(methylsulfinylmethyl)-N-pyridin-2-ylbenzamide (CID 46511648) is 3-(methylsulfinylmethyl)-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 3-(methylsulfinylmethyl)-N-pyridin-2-ylbenzamide?
The canonical SMILES for 3-(methylsulfinylmethyl)-N-pyridin-2-ylbenzamide is CS(=O)Cc1cccc(C(=O)Nc2ccccn2)c1.
What is the InChIKey of 3-(methylsulfinylmethyl)-N-pyridin-2-ylbenzamide?
The InChIKey is JUVIWIPPSUKUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-19(18)10-11-5-4-6-12(9-11)14(17)16-13-7-2-3-8-15-13/h2-9H,10H2,1H3,(H,15,16,17).
What are the key properties of 3-(methylsulfinylmethyl)-N-pyridin-2-ylbenzamide?
3-(methylsulfinylmethyl)-N-pyridin-2-ylbenzamide has a molecular weight of 274.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfinylmethyl)-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 46511648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).