N-(2-ethylphenyl)-2-methyl-3-(2-methylsulfanylethylamino)propanamide

C15H24N2OS — CID 3039533

IUPACN-(2-ethylphenyl)-2-methyl-3-(2-methylsulfanylethylamino)propanamide
SMILESCCc1ccccc1NC(=O)C(C)CNCCSC
InChIInChI=1S/C15H24N2OS/c1-4-13-7-5-6-8-14(13)17-15(18)12(2)11-16-9-10-19-3/h5-8,12,16H,4,9-11H2,1-3H3,(H,17,18)
InChIKeyKSOFJBDZXQTYOR-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.78
Rot. Bonds8

About N-(2-ethylphenyl)-2-methyl-3-(2-methylsulfanylethylamino)propanamide

N-(2-ethylphenyl)-2-methyl-3-(2-methylsulfanylethylamino)propanamide (PubChem CID 3039533) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-methyl-3-(2-methylsulfanylethylamino)propanamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-methyl-3-(2-methylsulfanylethylamino)propanamide
PubChem CID3039533
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-(2-ethylphenyl)-2-methyl-3-(2-methylsulfanylethylamino)propanamide
SMILESCCc1ccccc1NC(=O)C(C)CNCCSC
InChIInChI=1S/C15H24N2OS/c1-4-13-7-5-6-8-14(13)17-15(18)12(2)11-16-9-10-19-3/h5-8,12,16H,4,9-11H2,1-3H3,(H,17,18)
InChIKeyKSOFJBDZXQTYOR-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-methyl-3-(2-methylsulfanylethylamino)propanamide?
The IUPAC name of N-(2-ethylphenyl)-2-methyl-3-(2-methylsulfanylethylamino)propanamide (CID 3039533) is N-(2-ethylphenyl)-2-methyl-3-(2-methylsulfanylethylamino)propanamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-methyl-3-(2-methylsulfanylethylamino)propanamide?
The canonical SMILES for N-(2-ethylphenyl)-2-methyl-3-(2-methylsulfanylethylamino)propanamide is CCc1ccccc1NC(=O)C(C)CNCCSC.
What is the InChIKey of N-(2-ethylphenyl)-2-methyl-3-(2-methylsulfanylethylamino)propanamide?
The InChIKey is KSOFJBDZXQTYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-4-13-7-5-6-8-14(13)17-15(18)12(2)11-16-9-10-19-3/h5-8,12,16H,4,9-11H2,1-3H3,(H,17,18).
What are the key properties of N-(2-ethylphenyl)-2-methyl-3-(2-methylsulfanylethylamino)propanamide?
N-(2-ethylphenyl)-2-methyl-3-(2-methylsulfanylethylamino)propanamide has a molecular weight of 280.44 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-methyl-3-(2-methylsulfanylethylamino)propanamide is sourced from PubChem (CID 3039533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).