2-(4-methylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide

C22H22N2O2S — CID 46668908

IUPAC2-(4-methylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccc(SCc3cccnc3)cc2)cc1
InChIInChI=1S/C22H22N2O2S/c1-16-5-9-20(10-6-16)26-17(2)22(25)24-19-7-11-21(12-8-19)27-15-18-4-3-13-23-14-18/h3-14,17H,15H2,1-2H3,(H,24,25)
InChIKeyFJTHEPZNOBXVBO-UHFFFAOYSA-N
MW378.50 g/mol
LogP5.09
Rot. Bonds7

About 2-(4-methylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide

2-(4-methylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide (PubChem CID 46668908) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
PubChem CID46668908
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC Name2-(4-methylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccc(SCc3cccnc3)cc2)cc1
InChIInChI=1S/C22H22N2O2S/c1-16-5-9-20(10-6-16)26-17(2)22(25)24-19-7-11-21(12-8-19)27-15-18-4-3-13-23-14-18/h3-14,17H,15H2,1-2H3,(H,24,25)
InChIKeyFJTHEPZNOBXVBO-UHFFFAOYSA-N
XLogP5.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.50
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 55773051
(2R)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 78973407
3-chloro-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 62727163
(2S)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide
CID 79024068
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
2-(4-ethoxyphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 46669161
2-(4-ethylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 55465757
5-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazine-2-carboxamide
CID 24644970
(2S)-N-(4-benzylsulfanylphenyl)-2-(pyridin-3-ylmethyl)butanamide
CID 167600345
2-hydroxy-4-methoxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
CID 42054101
2-(4-chloro-3-methylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide
CID 132664011
(2R)-2-(4-methylphenoxy)-N-[4-(propanoylamino)phenyl]propanamide
CID 42427542

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide (CID 46668908) is 2-(4-methylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide is Cc1ccc(OC(C)C(=O)Nc2ccc(SCc3cccnc3)cc2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide?
The InChIKey is FJTHEPZNOBXVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-16-5-9-20(10-6-16)26-17(2)22(25)24-19-7-11-21(12-8-19)27-15-18-4-3-13-23-14-18/h3-14,17H,15H2,1-2H3,(H,24,25).
What are the key properties of 2-(4-methylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide?
2-(4-methylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide has a molecular weight of 378.50 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide is sourced from PubChem (CID 46668908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).