2-[5-hydroxypentyl(methyl)amino]-N-(1-thiophen-2-ylethyl)acetamide

C14H24N2O2S — CID 107203732

IUPAC2-[5-hydroxypentyl(methyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)CN(C)CCCCCO)c1cccs1
InChIInChI=1S/C14H24N2O2S/c1-12(13-7-6-10-19-13)15-14(18)11-16(2)8-4-3-5-9-17/h6-7,10,12,17H,3-5,8-9,11H2,1-2H3,(H,15,18)
InChIKeyUMMCEQLYKVRHEU-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.02
Rot. Bonds9

About 2-[5-hydroxypentyl(methyl)amino]-N-(1-thiophen-2-ylethyl)acetamide

2-[5-hydroxypentyl(methyl)amino]-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 107203732) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 2-[5-hydroxypentyl(methyl)amino]-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[5-hydroxypentyl(methyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID107203732
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name2-[5-hydroxypentyl(methyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)CN(C)CCCCCO)c1cccs1
InChIInChI=1S/C14H24N2O2S/c1-12(13-7-6-10-19-13)15-14(18)11-16(2)8-4-3-5-9-17/h6-7,10,12,17H,3-5,8-9,11H2,1-2H3,(H,15,18)
InChIKeyUMMCEQLYKVRHEU-UHFFFAOYSA-N
XLogP2.02
TPSA52.57 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 ≤ 52.02
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

4-[methyl-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]butanoic acid
CID 55005745
2-[5-hydroxypentyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 107204145
N-methyl-2-[methyl-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]acetamide
CID 78824991
2-[3-aminopropyl(methyl)amino]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 81493847
2-(dipropylamino)-N-(1-thiophen-2-ylethyl)acetamide
CID 78822073
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 26515915
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 107485550
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 60967061
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]amino]acetamide
CID 9250544
5-[[(1S)-1-thiophen-2-ylethyl]amino]pentan-1-ol
CID 81408361
(2R)-2-[[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]propanoic acid
CID 83193853
2-(tert-butylamino)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81408985

Frequently Asked Questions

What is the IUPAC name of 2-[5-hydroxypentyl(methyl)amino]-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[5-hydroxypentyl(methyl)amino]-N-(1-thiophen-2-ylethyl)acetamide (CID 107203732) is 2-[5-hydroxypentyl(methyl)amino]-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[5-hydroxypentyl(methyl)amino]-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[5-hydroxypentyl(methyl)amino]-N-(1-thiophen-2-ylethyl)acetamide is CC(NC(=O)CN(C)CCCCCO)c1cccs1.
What is the InChIKey of 2-[5-hydroxypentyl(methyl)amino]-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is UMMCEQLYKVRHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-12(13-7-6-10-19-13)15-14(18)11-16(2)8-4-3-5-9-17/h6-7,10,12,17H,3-5,8-9,11H2,1-2H3,(H,15,18).
What are the key properties of 2-[5-hydroxypentyl(methyl)amino]-N-(1-thiophen-2-ylethyl)acetamide?
2-[5-hydroxypentyl(methyl)amino]-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 284.42 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-hydroxypentyl(methyl)amino]-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 107203732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).