2-methoxy-N-(2-prop-2-enylsulfanylphenyl)propanamide

C13H17NO2S — CID 113225560

IUPAC2-methoxy-N-(2-prop-2-enylsulfanylphenyl)propanamide
SMILESC=CCSc1ccccc1NC(=O)C(C)OC
InChIInChI=1S/C13H17NO2S/c1-4-9-17-12-8-6-5-7-11(12)14-13(15)10(2)16-3/h4-8,10H,1,9H2,2-3H3,(H,14,15)
InChIKeyUCIDHNXCDFYLJS-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.94
Rot. Bonds6

About 2-methoxy-N-(2-prop-2-enylsulfanylphenyl)propanamide

2-methoxy-N-(2-prop-2-enylsulfanylphenyl)propanamide (PubChem CID 113225560) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-methoxy-N-(2-prop-2-enylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name2-methoxy-N-(2-prop-2-enylsulfanylphenyl)propanamide
PubChem CID113225560
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name2-methoxy-N-(2-prop-2-enylsulfanylphenyl)propanamide
SMILESC=CCSc1ccccc1NC(=O)C(C)OC
InChIInChI=1S/C13H17NO2S/c1-4-9-17-12-8-6-5-7-11(12)14-13(15)10(2)16-3/h4-8,10H,1,9H2,2-3H3,(H,14,15)
InChIKeyUCIDHNXCDFYLJS-UHFFFAOYSA-N
XLogP2.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.94
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-(4-methylphenoxy)-N-(2-prop-2-enylsulfanylphenyl)propanamide
CID 18196102
4-amino-2-methyl-N-(2-prop-2-enylsulfanylphenyl)butanamide
CID 80542781
2-amino-4-methoxy-N-(2-prop-2-enylsulfanylphenyl)butanamide
CID 62473395
(2S)-2-amino-3,3-dimethyl-N-(2-prop-2-enylsulfanylphenyl)butanamide
CID 61179400
ethyl N-(2-prop-2-enylsulfanylphenyl)carbamate
CID 60661108
3-oxo-N-(2-prop-2-enylsulfanylphenyl)butanamide
CID 54867229
2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 14995592
4-acetamido-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 33002746
5-amino-4-methyl-N-(2-prop-2-enylsulfanylphenyl)pentanamide
CID 82012481
N-[2-(diethylaminomethyl)phenyl]-2-methoxypropanamide
CID 112685894
3-bromo-5-methyl-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 104851985
2-methoxy-N-(2-propan-2-ylphenyl)propanamide
CID 86811936

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-prop-2-enylsulfanylphenyl)propanamide?
The IUPAC name of 2-methoxy-N-(2-prop-2-enylsulfanylphenyl)propanamide (CID 113225560) is 2-methoxy-N-(2-prop-2-enylsulfanylphenyl)propanamide.
What is the SMILES notation for 2-methoxy-N-(2-prop-2-enylsulfanylphenyl)propanamide?
The canonical SMILES for 2-methoxy-N-(2-prop-2-enylsulfanylphenyl)propanamide is C=CCSc1ccccc1NC(=O)C(C)OC.
What is the InChIKey of 2-methoxy-N-(2-prop-2-enylsulfanylphenyl)propanamide?
The InChIKey is UCIDHNXCDFYLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-4-9-17-12-8-6-5-7-11(12)14-13(15)10(2)16-3/h4-8,10H,1,9H2,2-3H3,(H,14,15).
What are the key properties of 2-methoxy-N-(2-prop-2-enylsulfanylphenyl)propanamide?
2-methoxy-N-(2-prop-2-enylsulfanylphenyl)propanamide has a molecular weight of 251.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-prop-2-enylsulfanylphenyl)propanamide is sourced from PubChem (CID 113225560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).