2-amino-3-methyl-N-[2-(4-methylphenyl)sulfanylethyl]pentanamide

C15H24N2OS — CID 119691514

IUPAC2-amino-3-methyl-N-[2-(4-methylphenyl)sulfanylethyl]pentanamide
SMILESCCC(C)C(N)C(=O)NCCSc1ccc(C)cc1
InChIInChI=1S/C15H24N2OS/c1-4-12(3)14(16)15(18)17-9-10-19-13-7-5-11(2)6-8-13/h5-8,12,14H,4,9-10,16H2,1-3H3,(H,17,18)
InChIKeyQXGDWIRJVYHNHU-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.58
Rot. Bonds7

About 2-amino-3-methyl-N-[2-(4-methylphenyl)sulfanylethyl]pentanamide

2-amino-3-methyl-N-[2-(4-methylphenyl)sulfanylethyl]pentanamide (PubChem CID 119691514) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[2-(4-methylphenyl)sulfanylethyl]pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[2-(4-methylphenyl)sulfanylethyl]pentanamide
PubChem CID119691514
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-amino-3-methyl-N-[2-(4-methylphenyl)sulfanylethyl]pentanamide
SMILESCCC(C)C(N)C(=O)NCCSc1ccc(C)cc1
InChIInChI=1S/C15H24N2OS/c1-4-12(3)14(16)15(18)17-9-10-19-13-7-5-11(2)6-8-13/h5-8,12,14H,4,9-10,16H2,1-3H3,(H,17,18)
InChIKeyQXGDWIRJVYHNHU-UHFFFAOYSA-N
XLogP2.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.58
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 2-amino-3-methyl-N-[2-(4-methylphenyl)sulfanylethyl]pentanamide?
The IUPAC name of 2-amino-3-methyl-N-[2-(4-methylphenyl)sulfanylethyl]pentanamide (CID 119691514) is 2-amino-3-methyl-N-[2-(4-methylphenyl)sulfanylethyl]pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[2-(4-methylphenyl)sulfanylethyl]pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-[2-(4-methylphenyl)sulfanylethyl]pentanamide is CCC(C)C(N)C(=O)NCCSc1ccc(C)cc1.
What is the InChIKey of 2-amino-3-methyl-N-[2-(4-methylphenyl)sulfanylethyl]pentanamide?
The InChIKey is QXGDWIRJVYHNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-4-12(3)14(16)15(18)17-9-10-19-13-7-5-11(2)6-8-13/h5-8,12,14H,4,9-10,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-3-methyl-N-[2-(4-methylphenyl)sulfanylethyl]pentanamide?
2-amino-3-methyl-N-[2-(4-methylphenyl)sulfanylethyl]pentanamide has a molecular weight of 280.44 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[2-(4-methylphenyl)sulfanylethyl]pentanamide is sourced from PubChem (CID 119691514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).