2-amino-5-methoxy-N-(1-thiophen-2-ylbutyl)pentanamide

C14H24N2O2S — CID 81087987

IUPAC2-amino-5-methoxy-N-(1-thiophen-2-ylbutyl)pentanamide
SMILESCCCC(NC(=O)C(N)CCCOC)c1cccs1
InChIInChI=1S/C14H24N2O2S/c1-3-6-12(13-8-5-10-19-13)16-14(17)11(15)7-4-9-18-2/h5,8,10-12H,3-4,6-7,9,15H2,1-2H3,(H,16,17)
InChIKeyZHUWWVWYKRQBBC-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.46
Rot. Bonds9

About 2-amino-5-methoxy-N-(1-thiophen-2-ylbutyl)pentanamide

2-amino-5-methoxy-N-(1-thiophen-2-ylbutyl)pentanamide (PubChem CID 81087987) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-(1-thiophen-2-ylbutyl)pentanamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-(1-thiophen-2-ylbutyl)pentanamide
PubChem CID81087987
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name2-amino-5-methoxy-N-(1-thiophen-2-ylbutyl)pentanamide
SMILESCCCC(NC(=O)C(N)CCCOC)c1cccs1
InChIInChI=1S/C14H24N2O2S/c1-3-6-12(13-8-5-10-19-13)16-14(17)11(15)7-4-9-18-2/h5,8,10-12H,3-4,6-7,9,15H2,1-2H3,(H,16,17)
InChIKeyZHUWWVWYKRQBBC-UHFFFAOYSA-N
XLogP2.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-3-phenyl-N-(1-thiophen-2-ylbutyl)propanamide
CID 78984626
2,2-difluoro-N-(1-thiophen-2-ylbutyl)acetamide
CID 103515707
2-(aminomethyl)-N-(1-thiophen-2-ylbutyl)butanamide
CID 65229248
2-bromo-N-(1-thiophen-2-ylbutyl)propanamide
CID 107904985
5-amino-2-methyl-N-(1-thiophen-2-ylbutyl)pentanamide
CID 104684884
2-methyl-3-(methylamino)-N-(1-thiophen-2-ylbutyl)propanamide
CID 79203080
2-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)pentanamide;hydrochloride
CID 119300993
2-amino-5-methoxy-N-octan-4-ylpentanamide
CID 114138350
3-amino-3-sulfanylidene-N-(1-thiophen-2-ylbutyl)propanamide
CID 55134581
(2S)-2-amino-N-[phenyl(thiophen-2-yl)methyl]pentanamide
CID 107568606
3-oxo-3-(1-thiophen-2-ylbutylamino)propanoic acid
CID 62231148
2-amino-N-(4-methoxybutyl)-2-thiophen-2-ylacetamide
CID 115287104

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-(1-thiophen-2-ylbutyl)pentanamide?
The IUPAC name of 2-amino-5-methoxy-N-(1-thiophen-2-ylbutyl)pentanamide (CID 81087987) is 2-amino-5-methoxy-N-(1-thiophen-2-ylbutyl)pentanamide.
What is the SMILES notation for 2-amino-5-methoxy-N-(1-thiophen-2-ylbutyl)pentanamide?
The canonical SMILES for 2-amino-5-methoxy-N-(1-thiophen-2-ylbutyl)pentanamide is CCCC(NC(=O)C(N)CCCOC)c1cccs1.
What is the InChIKey of 2-amino-5-methoxy-N-(1-thiophen-2-ylbutyl)pentanamide?
The InChIKey is ZHUWWVWYKRQBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-3-6-12(13-8-5-10-19-13)16-14(17)11(15)7-4-9-18-2/h5,8,10-12H,3-4,6-7,9,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-5-methoxy-N-(1-thiophen-2-ylbutyl)pentanamide?
2-amino-5-methoxy-N-(1-thiophen-2-ylbutyl)pentanamide has a molecular weight of 284.42 g/mol, XLogP of 2.46, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-N-(1-thiophen-2-ylbutyl)pentanamide is sourced from PubChem (CID 81087987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).