4-[[4-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]methyl]benzamide

C21H20N2O2S — CID 168853496

IUPAC4-[[4-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]methyl]benzamide
SMILESCSc1ccc(OCc2ccnc(Cc3ccc(C(N)=O)cc3)c2)cc1
InChIInChI=1S/C21H20N2O2S/c1-26-20-8-6-19(7-9-20)25-14-16-10-11-23-18(13-16)12-15-2-4-17(5-3-15)21(22)24/h2-11,13H,12,14H2,1H3,(H2,22,24)
InChIKeyXJWZFCIBCKJRGH-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.07
Rot. Bonds7

About 4-[[4-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]methyl]benzamide

4-[[4-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]methyl]benzamide (PubChem CID 168853496) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 4-[[4-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]methyl]benzamide
PubChem CID168853496
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name4-[[4-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]methyl]benzamide
SMILESCSc1ccc(OCc2ccnc(Cc3ccc(C(N)=O)cc3)c2)cc1
InChIInChI=1S/C21H20N2O2S/c1-26-20-8-6-19(7-9-20)25-14-16-10-11-23-18(13-16)12-15-2-4-17(5-3-15)21(22)24/h2-11,13H,12,14H2,1H3,(H2,22,24)
InChIKeyXJWZFCIBCKJRGH-UHFFFAOYSA-N
XLogP4.07
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[4-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-methylsulfanylphenoxy)methyl]pyridine-2-carbothioamide
CID 63880755
4-[(4-chloro-2-pyridinyl)methoxy]benzamide
CID 79255855
4-[(3-fluoro-4-methoxyphenyl)methoxy]benzamide
CID 7893423
4-[[4-(methylamino)phenoxy]methyl]benzamide
CID 54908957
2-fluoro-4-[(4-methylsulfanylphenoxy)methyl]benzoic acid
CID 106698429
4-[(3-amino-4-methoxyphenyl)methoxy]benzamide
CID 28557381
4-[(4-propoxyphenoxy)methyl]benzamide
CID 24605968
N-methyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine
CID 79260240
4-[(3-cyano-4-fluorophenyl)methoxy]benzamide
CID 103758758
4-[(4-methylsulfanylphenyl)methoxy]aniline
CID 54908756
2-methoxy-4-[(4-methylsulfanylphenoxy)methyl]benzoic acid
CID 106794086
4-[[4-(propylamino)-2-pyridinyl]methoxy]benzamide
CID 79245655

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]methyl]benzamide?
The IUPAC name of 4-[[4-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]methyl]benzamide (CID 168853496) is 4-[[4-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]methyl]benzamide.
What is the SMILES notation for 4-[[4-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]methyl]benzamide?
The canonical SMILES for 4-[[4-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]methyl]benzamide is CSc1ccc(OCc2ccnc(Cc3ccc(C(N)=O)cc3)c2)cc1.
What is the InChIKey of 4-[[4-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]methyl]benzamide?
The InChIKey is XJWZFCIBCKJRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-26-20-8-6-19(7-9-20)25-14-16-10-11-23-18(13-16)12-15-2-4-17(5-3-15)21(22)24/h2-11,13H,12,14H2,1H3,(H2,22,24).
What are the key properties of 4-[[4-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]methyl]benzamide?
4-[[4-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]methyl]benzamide has a molecular weight of 364.47 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]methyl]benzamide is sourced from PubChem (CID 168853496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).