4-methylsulfanyl-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide

C20H18N2O2S — CID 78890950

IUPAC4-methylsulfanyl-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
SMILESCSc1ccc(C(=O)Nc2cccc(OCc3cccnc3)c2)cc1
InChIInChI=1S/C20H18N2O2S/c1-25-19-9-7-16(8-10-19)20(23)22-17-5-2-6-18(12-17)24-14-15-4-3-11-21-13-15/h2-13H,14H2,1H3,(H,22,23)
InChIKeyYOOODHMUTOEGAZ-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.63
Rot. Bonds6

About 4-methylsulfanyl-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide

4-methylsulfanyl-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide (PubChem CID 78890950) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is 4-methylsulfanyl-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
PubChem CID78890950
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name4-methylsulfanyl-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
SMILESCSc1ccc(C(=O)Nc2cccc(OCc3cccnc3)c2)cc1
InChIInChI=1S/C20H18N2O2S/c1-25-19-9-7-16(8-10-19)20(23)22-17-5-2-6-18(12-17)24-14-15-4-3-11-21-13-15/h2-13H,14H2,1H3,(H,22,23)
InChIKeyYOOODHMUTOEGAZ-UHFFFAOYSA-N
XLogP4.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-diethoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 60520684
N-(3-fluoro-4-methoxyphenyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 55796689
2-amino-2-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride
CID 119846147
4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047690
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
N-[3-(3-cyanopropoxy)phenyl]-4-methylsulfanylbenzamide
CID 87026604
N-(6-phenylmethoxy-3-pyridinyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 55880084
3-ethoxy-N-(3-fluorophenyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39111619
3,4-dichloro-N-[2-oxo-2-[3-(pyridin-3-ylmethoxy)anilino]ethyl]benzamide
CID 60520711
2-methyl-3-(methylamino)-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride
CID 119846173
3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide;dihydrochloride
CID 119846183
N-[3-(bromomethyl)phenyl]-4-methylsulfanylbenzamide
CID 113273954

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide?
The IUPAC name of 4-methylsulfanyl-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide (CID 78890950) is 4-methylsulfanyl-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide.
What is the SMILES notation for 4-methylsulfanyl-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide?
The canonical SMILES for 4-methylsulfanyl-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide is CSc1ccc(C(=O)Nc2cccc(OCc3cccnc3)c2)cc1.
What is the InChIKey of 4-methylsulfanyl-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide?
The InChIKey is YOOODHMUTOEGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-25-19-9-7-16(8-10-19)20(23)22-17-5-2-6-18(12-17)24-14-15-4-3-11-21-13-15/h2-13H,14H2,1H3,(H,22,23).
What are the key properties of 4-methylsulfanyl-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide?
4-methylsulfanyl-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide has a molecular weight of 350.44 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide is sourced from PubChem (CID 78890950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).