3-phenylsulfanyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide

C21H20N2O2S — CID 90596092

IUPAC3-phenylsulfanyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide
SMILESO=C(CCSc1ccccc1)NCc1cccc(Oc2ccccn2)c1
InChIInChI=1S/C21H20N2O2S/c24-20(12-14-26-19-9-2-1-3-10-19)23-16-17-7-6-8-18(15-17)25-21-11-4-5-13-22-21/h1-11,13,15H,12,14,16H2,(H,23,24)
InChIKeyMAELUNUKGACPGZ-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.67
Rot. Bonds8

About 3-phenylsulfanyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide

3-phenylsulfanyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide (PubChem CID 90596092) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 3-phenylsulfanyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-phenylsulfanyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide
PubChem CID90596092
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name3-phenylsulfanyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide
SMILESO=C(CCSc1ccccc1)NCc1cccc(Oc2ccccn2)c1
InChIInChI=1S/C21H20N2O2S/c24-20(12-14-26-19-9-2-1-3-10-19)23-16-17-7-6-8-18(15-17)25-21-11-4-5-13-22-21/h1-11,13,15H,12,14,16H2,(H,23,24)
InChIKeyMAELUNUKGACPGZ-UHFFFAOYSA-N
XLogP4.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-phenylsulfanyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide 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

2-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596122
3-(1,3-dioxoisoindol-2-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide
CID 90596248
2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596103
N-[(3-fluorophenyl)methyl]-3-phenylsulfanylpropanamide
CID 53279525
3-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide
CID 72719244
(E)-N-[(3-pyridin-2-yloxyphenyl)methyl]but-2-enamide
CID 90596212
N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 90596022
3,4,5-trimethoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 90596216
5-bromo-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-2-carboxamide
CID 90596276
2-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596320
4-(4-methylphenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 121142482
N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41325047

Frequently Asked Questions

What is the IUPAC name of 3-phenylsulfanyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide?
The IUPAC name of 3-phenylsulfanyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide (CID 90596092) is 3-phenylsulfanyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-phenylsulfanyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide?
The canonical SMILES for 3-phenylsulfanyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide is O=C(CCSc1ccccc1)NCc1cccc(Oc2ccccn2)c1.
What is the InChIKey of 3-phenylsulfanyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide?
The InChIKey is MAELUNUKGACPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c24-20(12-14-26-19-9-2-1-3-10-19)23-16-17-7-6-8-18(15-17)25-21-11-4-5-13-22-21/h1-11,13,15H,12,14,16H2,(H,23,24).
What are the key properties of 3-phenylsulfanyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide?
3-phenylsulfanyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide has a molecular weight of 364.47 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylsulfanyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide is sourced from PubChem (CID 90596092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).