3-(methylsulfinylmethyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide

C21H20N2O2S — CID 46550377

IUPAC3-(methylsulfinylmethyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide
SMILESCS(=O)Cc1cccc(C(=O)NC(c2ccccc2)c2ccccn2)c1
InChIInChI=1S/C21H20N2O2S/c1-26(25)15-16-8-7-11-18(14-16)21(24)23-20(17-9-3-2-4-10-17)19-12-5-6-13-22-19/h2-14,20H,15H2,1H3,(H,23,24)
InChIKeyMYHLSCIJVPYWJA-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.48
Rot. Bonds6

About 3-(methylsulfinylmethyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide

3-(methylsulfinylmethyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide (PubChem CID 46550377) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 3-(methylsulfinylmethyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(methylsulfinylmethyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide
PubChem CID46550377
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name3-(methylsulfinylmethyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide
SMILESCS(=O)Cc1cccc(C(=O)NC(c2ccccc2)c2ccccn2)c1
InChIInChI=1S/C21H20N2O2S/c1-26(25)15-16-8-7-11-18(14-16)21(24)23-20(17-9-3-2-4-10-17)19-12-5-6-13-22-19/h2-14,20H,15H2,1H3,(H,23,24)
InChIKeyMYHLSCIJVPYWJA-UHFFFAOYSA-N
XLogP3.48
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylsulfonylmethyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 78811700
N-[(4-methoxyphenyl)-phenylmethyl]-3-(methylsulfinylmethyl)benzamide
CID 134050485
3-(methylsulfinylmethyl)-N-pyridin-2-ylbenzamide
CID 46511648
2,3-dimethyl-N-[phenyl(pyridin-2-yl)methyl]quinoxaline-6-carboxamide
CID 134052696
3-(carbamoylamino)-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 78779505
1-methyl-2-oxo-N-[(R)-phenyl(pyridin-2-yl)methyl]pyridine-4-carboxamide
CID 94001377
N-[phenyl(pyridin-2-yl)methyl]-3-(propylsulfonylamino)benzamide
CID 46554430
3-benzamido-4-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
CID 51939981
3,5-dimethoxy-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
CID 25392445
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(methylsulfinylmethyl)benzamide
CID 134024613
4-bromo-3-fluoro-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 86851550
6-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyridine-3-carboxamide
CID 95568756

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfinylmethyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide?
The IUPAC name of 3-(methylsulfinylmethyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide (CID 46550377) is 3-(methylsulfinylmethyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide.
What is the SMILES notation for 3-(methylsulfinylmethyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide?
The canonical SMILES for 3-(methylsulfinylmethyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide is CS(=O)Cc1cccc(C(=O)NC(c2ccccc2)c2ccccn2)c1.
What is the InChIKey of 3-(methylsulfinylmethyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide?
The InChIKey is MYHLSCIJVPYWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-26(25)15-16-8-7-11-18(14-16)21(24)23-20(17-9-3-2-4-10-17)19-12-5-6-13-22-19/h2-14,20H,15H2,1H3,(H,23,24).
What are the key properties of 3-(methylsulfinylmethyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide?
3-(methylsulfinylmethyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide has a molecular weight of 364.47 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfinylmethyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 46550377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).