3-(2-methoxyphenoxy)-N-(2-methylsulfanylphenyl)propanamide

C17H19NO3S — CID 78768134

IUPAC3-(2-methoxyphenoxy)-N-(2-methylsulfanylphenyl)propanamide
SMILESCOc1ccccc1OCCC(=O)Nc1ccccc1SC
InChIInChI=1S/C17H19NO3S/c1-20-14-8-4-5-9-15(14)21-12-11-17(19)18-13-7-3-6-10-16(13)22-2/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyWSYKCKGXTUXGIT-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.82
Rot. Bonds7

About 3-(2-methoxyphenoxy)-N-(2-methylsulfanylphenyl)propanamide

3-(2-methoxyphenoxy)-N-(2-methylsulfanylphenyl)propanamide (PubChem CID 78768134) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 3-(2-methoxyphenoxy)-N-(2-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenoxy)-N-(2-methylsulfanylphenyl)propanamide
PubChem CID78768134
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name3-(2-methoxyphenoxy)-N-(2-methylsulfanylphenyl)propanamide
SMILESCOc1ccccc1OCCC(=O)Nc1ccccc1SC
InChIInChI=1S/C17H19NO3S/c1-20-14-8-4-5-9-15(14)21-12-11-17(19)18-13-7-3-6-10-16(13)22-2/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyWSYKCKGXTUXGIT-UHFFFAOYSA-N
XLogP3.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethoxyphenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 7928453
3-(4-fluorophenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 31891666
3-(2-methoxyphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 17034567
N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyphenoxy)propanamide
CID 119439282
3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)propanamide
CID 55482070
N-(4-anilinophenyl)-3-(2-methoxyphenoxy)propanamide
CID 60520385
methyl 3-(2-methylsulfanylphenoxy)propanoate
CID 63648637
(2R)-N-(2-methoxyphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
CID 7986544
2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)acetamide
CID 7688925
2-amino-6-methoxy-N-(2-methylsulfanylphenyl)benzamide
CID 81420850
N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-naphthalen-1-yloxybutanamide
CID 55718491
3-(2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 78772438

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenoxy)-N-(2-methylsulfanylphenyl)propanamide?
The IUPAC name of 3-(2-methoxyphenoxy)-N-(2-methylsulfanylphenyl)propanamide (CID 78768134) is 3-(2-methoxyphenoxy)-N-(2-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-(2-methoxyphenoxy)-N-(2-methylsulfanylphenyl)propanamide?
The canonical SMILES for 3-(2-methoxyphenoxy)-N-(2-methylsulfanylphenyl)propanamide is COc1ccccc1OCCC(=O)Nc1ccccc1SC.
What is the InChIKey of 3-(2-methoxyphenoxy)-N-(2-methylsulfanylphenyl)propanamide?
The InChIKey is WSYKCKGXTUXGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-20-14-8-4-5-9-15(14)21-12-11-17(19)18-13-7-3-6-10-16(13)22-2/h3-10H,11-12H2,1-2H3,(H,18,19).
What are the key properties of 3-(2-methoxyphenoxy)-N-(2-methylsulfanylphenyl)propanamide?
3-(2-methoxyphenoxy)-N-(2-methylsulfanylphenyl)propanamide has a molecular weight of 317.41 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenoxy)-N-(2-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 78768134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).