4-(methylsulfanylmethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide

C22H22N2O2S — CID 55709365

IUPAC4-(methylsulfanylmethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
SMILESCSCc1ccc(C(=O)NCc2cccc(OCc3ccccn3)c2)cc1
InChIInChI=1S/C22H22N2O2S/c1-27-16-17-8-10-19(11-9-17)22(25)24-14-18-5-4-7-21(13-18)26-15-20-6-2-3-12-23-20/h2-13H,14-16H2,1H3,(H,24,25)
InChIKeyFZAHTSQFCNLSRB-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.45
Rot. Bonds8

About 4-(methylsulfanylmethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide

4-(methylsulfanylmethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide (PubChem CID 55709365) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is 4-(methylsulfanylmethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(methylsulfanylmethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
PubChem CID55709365
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC Name4-(methylsulfanylmethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
SMILESCSCc1ccc(C(=O)NCc2cccc(OCc3ccccn3)c2)cc1
InChIInChI=1S/C22H22N2O2S/c1-27-16-17-8-10-19(11-9-17)22(25)24-14-18-5-4-7-21(13-18)26-15-20-6-2-3-12-23-20/h2-13H,14-16H2,1H3,(H,24,25)
InChIKeyFZAHTSQFCNLSRB-UHFFFAOYSA-N
XLogP4.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-pyrazol-1-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 46470263
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55709579
5-(methoxymethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide
CID 78875904
5-chloro-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 46470172
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 46467134
2-methoxy-5-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55709278
N-benzyl-4-(methylsulfanylmethyl)benzamide
CID 2542193
N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 46470158
2-(2,6-dimethylphenoxy)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46478039
3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 60534147
pyridin-2-ylmethyl 4-(methylsulfanylmethyl)benzoate
CID 86977046
2-[(4-methylphenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46467326

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfanylmethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide?
The IUPAC name of 4-(methylsulfanylmethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide (CID 55709365) is 4-(methylsulfanylmethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(methylsulfanylmethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 4-(methylsulfanylmethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide is CSCc1ccc(C(=O)NCc2cccc(OCc3ccccn3)c2)cc1.
What is the InChIKey of 4-(methylsulfanylmethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide?
The InChIKey is FZAHTSQFCNLSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-27-16-17-8-10-19(11-9-17)22(25)24-14-18-5-4-7-21(13-18)26-15-20-6-2-3-12-23-20/h2-13H,14-16H2,1H3,(H,24,25).
What are the key properties of 4-(methylsulfanylmethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide?
4-(methylsulfanylmethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide has a molecular weight of 378.50 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfanylmethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 55709365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).