2-amino-N-(5-hydroxy-4-methylpentyl)-2-thiophen-2-ylacetamide

C12H20N2O2S — CID 106161199

IUPAC2-amino-N-(5-hydroxy-4-methylpentyl)-2-thiophen-2-ylacetamide
SMILESCC(CO)CCCNC(=O)C(N)c1cccs1
InChIInChI=1S/C12H20N2O2S/c1-9(8-15)4-2-6-14-12(16)11(13)10-5-3-7-17-10/h3,5,7,9,11,15H,2,4,6,8,13H2,1H3,(H,14,16)
InChIKeyAZUQQPGWQFEOLL-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.27
Rot. Bonds7

About 2-amino-N-(5-hydroxy-4-methylpentyl)-2-thiophen-2-ylacetamide

2-amino-N-(5-hydroxy-4-methylpentyl)-2-thiophen-2-ylacetamide (PubChem CID 106161199) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-amino-N-(5-hydroxy-4-methylpentyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-(5-hydroxy-4-methylpentyl)-2-thiophen-2-ylacetamide
PubChem CID106161199
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-amino-N-(5-hydroxy-4-methylpentyl)-2-thiophen-2-ylacetamide
SMILESCC(CO)CCCNC(=O)C(N)c1cccs1
InChIInChI=1S/C12H20N2O2S/c1-9(8-15)4-2-6-14-12(16)11(13)10-5-3-7-17-10/h3,5,7,9,11,15H,2,4,6,8,13H2,1H3,(H,14,16)
InChIKeyAZUQQPGWQFEOLL-UHFFFAOYSA-N
XLogP1.27
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 115285812
2-amino-N-(4-methoxybutyl)-2-thiophen-2-ylacetamide
CID 115287104
2-amino-N-(2-methylbutyl)-2-thiophen-2-ylacetamide
CID 115287191
2-amino-N-(3-phenylbutyl)-2-thiophen-2-ylacetamide
CID 115287214
2-amino-N-(1-hydroxypropan-2-yl)-2-thiophen-2-ylacetamide
CID 115286053
2-methyl-5-(1-thiophen-2-ylethylamino)pentan-1-ol
CID 103905543
2-amino-N-[(2R)-2-hydroxypropyl]-2-thiophen-2-ylacetamide
CID 107221006
4-[(2-amino-2-thiophen-2-ylacetyl)amino]-3-methylbutanoic acid
CID 113279358
2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-thiophen-2-ylacetamide
CID 115286057
(2R)-2-amino-N-(5-hydroxy-4-methylpentyl)propanamide
CID 106161371
2-amino-N-(2-methoxypropyl)-2-thiophen-2-ylacetamide
CID 102695079
2-amino-N-(1,3-dihydroxypropan-2-yl)-2-thiophen-2-ylacetamide
CID 115287404

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-hydroxy-4-methylpentyl)-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-(5-hydroxy-4-methylpentyl)-2-thiophen-2-ylacetamide (CID 106161199) is 2-amino-N-(5-hydroxy-4-methylpentyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-(5-hydroxy-4-methylpentyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-(5-hydroxy-4-methylpentyl)-2-thiophen-2-ylacetamide is CC(CO)CCCNC(=O)C(N)c1cccs1.
What is the InChIKey of 2-amino-N-(5-hydroxy-4-methylpentyl)-2-thiophen-2-ylacetamide?
The InChIKey is AZUQQPGWQFEOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-9(8-15)4-2-6-14-12(16)11(13)10-5-3-7-17-10/h3,5,7,9,11,15H,2,4,6,8,13H2,1H3,(H,14,16).
What are the key properties of 2-amino-N-(5-hydroxy-4-methylpentyl)-2-thiophen-2-ylacetamide?
2-amino-N-(5-hydroxy-4-methylpentyl)-2-thiophen-2-ylacetamide has a molecular weight of 256.37 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-hydroxy-4-methylpentyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 106161199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).