2-amino-4-methoxy-N-(2-prop-2-enylsulfanylphenyl)butanamide

C14H20N2O2S — CID 62473395

IUPAC2-amino-4-methoxy-N-(2-prop-2-enylsulfanylphenyl)butanamide
SMILESC=CCSc1ccccc1NC(=O)C(N)CCOC
InChIInChI=1S/C14H20N2O2S/c1-3-10-19-13-7-5-4-6-12(13)16-14(17)11(15)8-9-18-2/h3-7,11H,1,8-10,15H2,2H3,(H,16,17)
InChIKeyLWHUVYQAPBLCFO-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.27
Rot. Bonds8

About 2-amino-4-methoxy-N-(2-prop-2-enylsulfanylphenyl)butanamide

2-amino-4-methoxy-N-(2-prop-2-enylsulfanylphenyl)butanamide (PubChem CID 62473395) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-(2-prop-2-enylsulfanylphenyl)butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-(2-prop-2-enylsulfanylphenyl)butanamide
PubChem CID62473395
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-amino-4-methoxy-N-(2-prop-2-enylsulfanylphenyl)butanamide
SMILESC=CCSc1ccccc1NC(=O)C(N)CCOC
InChIInChI=1S/C14H20N2O2S/c1-3-10-19-13-7-5-4-6-12(13)16-14(17)11(15)8-9-18-2/h3-7,11H,1,8-10,15H2,2H3,(H,16,17)
InChIKeyLWHUVYQAPBLCFO-UHFFFAOYSA-N
XLogP2.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-4-methoxy-N-(2-prop-2-enylsulfanylphenyl)butanamide 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-(2-prop-2-enylsulfanylphenyl)propanamide
CID 113225560
(2S)-2-amino-3,3-dimethyl-N-(2-prop-2-enylsulfanylphenyl)butanamide
CID 61179400
4-amino-2-methyl-N-(2-prop-2-enylsulfanylphenyl)butanamide
CID 80542781
ethyl N-(2-prop-2-enylsulfanylphenyl)carbamate
CID 60661108
2-[(2-amino-4-methoxybutanoyl)amino]benzamide
CID 55080862
2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 14995592
3-oxo-N-(2-prop-2-enylsulfanylphenyl)butanamide
CID 54867229
5-amino-4-methyl-N-(2-prop-2-enylsulfanylphenyl)pentanamide
CID 82012481
2-(4-methylphenoxy)-N-(2-prop-2-enylsulfanylphenyl)propanamide
CID 18196102
2-amino-N-(2-hydroxyphenyl)-5-methoxypentanamide
CID 81089431
4-acetamido-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 33002746
3-amino-2-methyl-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 61102392

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-(2-prop-2-enylsulfanylphenyl)butanamide?
The IUPAC name of 2-amino-4-methoxy-N-(2-prop-2-enylsulfanylphenyl)butanamide (CID 62473395) is 2-amino-4-methoxy-N-(2-prop-2-enylsulfanylphenyl)butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-(2-prop-2-enylsulfanylphenyl)butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-(2-prop-2-enylsulfanylphenyl)butanamide is C=CCSc1ccccc1NC(=O)C(N)CCOC.
What is the InChIKey of 2-amino-4-methoxy-N-(2-prop-2-enylsulfanylphenyl)butanamide?
The InChIKey is LWHUVYQAPBLCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-3-10-19-13-7-5-4-6-12(13)16-14(17)11(15)8-9-18-2/h3-7,11H,1,8-10,15H2,2H3,(H,16,17).
What are the key properties of 2-amino-4-methoxy-N-(2-prop-2-enylsulfanylphenyl)butanamide?
2-amino-4-methoxy-N-(2-prop-2-enylsulfanylphenyl)butanamide has a molecular weight of 280.39 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-(2-prop-2-enylsulfanylphenyl)butanamide is sourced from PubChem (CID 62473395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).