2-(4-methylphenoxy)-N-(2-prop-2-enylsulfanylphenyl)propanamide

C19H21NO2S — CID 18196102

IUPAC2-(4-methylphenoxy)-N-(2-prop-2-enylsulfanylphenyl)propanamide
SMILESC=CCSc1ccccc1NC(=O)C(C)Oc1ccc(C)cc1
InChIInChI=1S/C19H21NO2S/c1-4-13-23-18-8-6-5-7-17(18)20-19(21)15(3)22-16-11-9-14(2)10-12-16/h4-12,15H,1,13H2,2-3H3,(H,20,21)
InChIKeyXQJGUNPNLPFTOJ-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.68
Rot. Bonds7

About 2-(4-methylphenoxy)-N-(2-prop-2-enylsulfanylphenyl)propanamide

2-(4-methylphenoxy)-N-(2-prop-2-enylsulfanylphenyl)propanamide (PubChem CID 18196102) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-(2-prop-2-enylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-(2-prop-2-enylsulfanylphenyl)propanamide
PubChem CID18196102
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name2-(4-methylphenoxy)-N-(2-prop-2-enylsulfanylphenyl)propanamide
SMILESC=CCSc1ccccc1NC(=O)C(C)Oc1ccc(C)cc1
InChIInChI=1S/C19H21NO2S/c1-4-13-23-18-8-6-5-7-17(18)20-19(21)15(3)22-16-11-9-14(2)10-12-16/h4-12,15H,1,13H2,2-3H3,(H,20,21)
InChIKeyXQJGUNPNLPFTOJ-UHFFFAOYSA-N
XLogP4.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-(2-prop-2-enylsulfanylphenyl)propanamide
CID 113225560
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889
N-[2-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 60653440
N-(2-ethylsulfanylphenyl)-2-phenoxypropanamide
CID 132650139
(2R)-N-(2-ethylsulfanylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 28568404
N-(2-chlorophenyl)-2-(4-methylphenoxy)propanamide
CID 2983629
(2R)-2-(4-tert-butylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 38005426
ethyl N-(2-prop-2-enylsulfanylphenyl)carbamate
CID 60661108
N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 119439866
2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 7371907
(2R)-N-[2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methylsulfanyl]phenyl]-2-(4-methylphenoxy)propanamide
CID 51692094
N-(2-ethylphenyl)-2-(4-phenylphenoxy)propanamide
CID 19191511

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-(2-prop-2-enylsulfanylphenyl)propanamide?
The IUPAC name of 2-(4-methylphenoxy)-N-(2-prop-2-enylsulfanylphenyl)propanamide (CID 18196102) is 2-(4-methylphenoxy)-N-(2-prop-2-enylsulfanylphenyl)propanamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-(2-prop-2-enylsulfanylphenyl)propanamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-(2-prop-2-enylsulfanylphenyl)propanamide is C=CCSc1ccccc1NC(=O)C(C)Oc1ccc(C)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-(2-prop-2-enylsulfanylphenyl)propanamide?
The InChIKey is XQJGUNPNLPFTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-4-13-23-18-8-6-5-7-17(18)20-19(21)15(3)22-16-11-9-14(2)10-12-16/h4-12,15H,1,13H2,2-3H3,(H,20,21).
What are the key properties of 2-(4-methylphenoxy)-N-(2-prop-2-enylsulfanylphenyl)propanamide?
2-(4-methylphenoxy)-N-(2-prop-2-enylsulfanylphenyl)propanamide has a molecular weight of 327.45 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-(2-prop-2-enylsulfanylphenyl)propanamide is sourced from PubChem (CID 18196102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).