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

C14H20N2OS — CID 80542781

IUPAC4-amino-2-methyl-N-(2-prop-2-enylsulfanylphenyl)butanamide
SMILESC=CCSc1ccccc1NC(=O)C(C)CCN
InChIInChI=1S/C14H20N2OS/c1-3-10-18-13-7-5-4-6-12(13)16-14(17)11(2)8-9-15/h3-7,11H,1,8-10,15H2,2H3,(H,16,17)
InChIKeyQAHMJGYADSEGHY-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.89
Rot. Bonds7

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

4-amino-2-methyl-N-(2-prop-2-enylsulfanylphenyl)butanamide (PubChem CID 80542781) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 4-amino-2-methyl-N-(2-prop-2-enylsulfanylphenyl)butanamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-(2-prop-2-enylsulfanylphenyl)butanamide
PubChem CID80542781
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name4-amino-2-methyl-N-(2-prop-2-enylsulfanylphenyl)butanamide
SMILESC=CCSc1ccccc1NC(=O)C(C)CCN
InChIInChI=1S/C14H20N2OS/c1-3-10-18-13-7-5-4-6-12(13)16-14(17)11(2)8-9-15/h3-7,11H,1,8-10,15H2,2H3,(H,16,17)
InChIKeyQAHMJGYADSEGHY-UHFFFAOYSA-N
XLogP2.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-methylbutanamide
CID 80543338
2-methoxy-N-(2-prop-2-enylsulfanylphenyl)propanamide
CID 113225560
5-amino-4-methyl-N-(2-prop-2-enylsulfanylphenyl)pentanamide
CID 82012481
2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 14995592
(2S)-2-amino-3,3-dimethyl-N-(2-prop-2-enylsulfanylphenyl)butanamide
CID 61179400
2-amino-4-methoxy-N-(2-prop-2-enylsulfanylphenyl)butanamide
CID 62473395
ethyl N-(2-prop-2-enylsulfanylphenyl)carbamate
CID 60661108
3-oxo-N-(2-prop-2-enylsulfanylphenyl)butanamide
CID 54867229
2-(4-methylphenoxy)-N-(2-prop-2-enylsulfanylphenyl)propanamide
CID 18196102
1-(aminomethyl)-N-(2-prop-2-enylsulfanylphenyl)cyclohexane-1-carboxamide
CID 115437461
(3R,5S)-3,5-dimethyl-N-(2-prop-2-enylsulfanylphenyl)piperidine-1-carboxamide
CID 51945547
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-chloro-2-methylpropanamide
CID 62727753

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-(2-prop-2-enylsulfanylphenyl)butanamide?
The IUPAC name of 4-amino-2-methyl-N-(2-prop-2-enylsulfanylphenyl)butanamide (CID 80542781) is 4-amino-2-methyl-N-(2-prop-2-enylsulfanylphenyl)butanamide.
What is the SMILES notation for 4-amino-2-methyl-N-(2-prop-2-enylsulfanylphenyl)butanamide?
The canonical SMILES for 4-amino-2-methyl-N-(2-prop-2-enylsulfanylphenyl)butanamide is C=CCSc1ccccc1NC(=O)C(C)CCN.
What is the InChIKey of 4-amino-2-methyl-N-(2-prop-2-enylsulfanylphenyl)butanamide?
The InChIKey is QAHMJGYADSEGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-3-10-18-13-7-5-4-6-12(13)16-14(17)11(2)8-9-15/h3-7,11H,1,8-10,15H2,2H3,(H,16,17).
What are the key properties of 4-amino-2-methyl-N-(2-prop-2-enylsulfanylphenyl)butanamide?
4-amino-2-methyl-N-(2-prop-2-enylsulfanylphenyl)butanamide has a molecular weight of 264.39 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-(2-prop-2-enylsulfanylphenyl)butanamide is sourced from PubChem (CID 80542781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).