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

C21H20N2OS — CID 36542434

IUPAC3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(SCc2cccnc2)cc1
InChIInChI=1S/C21H20N2OS/c24-21(13-8-17-5-2-1-3-6-17)23-19-9-11-20(12-10-19)25-16-18-7-4-14-22-15-18/h1-7,9-12,14-15H,8,13,16H2,(H,23,24)
InChIKeyMLGANCMXJVWTRD-UHFFFAOYSA-N
MW348.47 g/mol
LogP4.95
Rot. Bonds7

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

3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide (PubChem CID 36542434) has the molecular formula C21H20N2OS and a molecular weight of 348.47 g/mol. Its IUPAC name is 3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
PubChem CID36542434
Molecular FormulaC21H20N2OS
Molecular Weight348.47 g/mol
Exact Mass348.13
IUPAC Name3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(SCc2cccnc2)cc1
InChIInChI=1S/C21H20N2OS/c24-21(13-8-17-5-2-1-3-6-17)23-19-9-11-20(12-10-19)25-16-18-7-4-14-22-15-18/h1-7,9-12,14-15H,8,13,16H2,(H,23,24)
InChIKeyMLGANCMXJVWTRD-UHFFFAOYSA-N
XLogP4.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide
CID 63309430
3-(3,4-dimethoxyphenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 34425823
2-(1,3-dioxoisoindol-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 34425182
N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 34425101
2-[4-(3-pyridin-3-ylpropanoylamino)phenyl]acetic acid
CID 43358510
2-cyclohexyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 36542331
2-propylsulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 60572265
3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 135979038
N-(4-iodophenyl)-3-pyridin-3-ylpropanamide
CID 9206675
(2R)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 78973407
N-isoquinolin-6-yl-3-phenylpropanamide
CID 24999503
2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 36542410

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide?
The IUPAC name of 3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide (CID 36542434) is 3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide?
The canonical SMILES for 3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide is O=C(CCc1ccccc1)Nc1ccc(SCc2cccnc2)cc1.
What is the InChIKey of 3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide?
The InChIKey is MLGANCMXJVWTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2OS/c24-21(13-8-17-5-2-1-3-6-17)23-19-9-11-20(12-10-19)25-16-18-7-4-14-22-15-18/h1-7,9-12,14-15H,8,13,16H2,(H,23,24).
What are the key properties of 3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide?
3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide has a molecular weight of 348.47 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide is sourced from PubChem (CID 36542434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).