2-[2-amino-2-(1-benzothiophen-3-yl)ethoxy]acetamide

C12H14N2O2S — CID 61328580

IUPAC2-[2-amino-2-(1-benzothiophen-3-yl)ethoxy]acetamide
SMILESNC(=O)COCC(N)c1csc2ccccc12
InChIInChI=1S/C12H14N2O2S/c13-10(5-16-6-12(14)15)9-7-17-11-4-2-1-3-8(9)11/h1-4,7,10H,5-6,13H2,(H2,14,15)
InChIKeyPUQGHKNXTHZGJE-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.40
Rot. Bonds5

About 2-[2-amino-2-(1-benzothiophen-3-yl)ethoxy]acetamide

2-[2-amino-2-(1-benzothiophen-3-yl)ethoxy]acetamide (PubChem CID 61328580) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-[2-amino-2-(1-benzothiophen-3-yl)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-amino-2-(1-benzothiophen-3-yl)ethoxy]acetamide
PubChem CID61328580
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name2-[2-amino-2-(1-benzothiophen-3-yl)ethoxy]acetamide
SMILESNC(=O)COCC(N)c1csc2ccccc12
InChIInChI=1S/C12H14N2O2S/c13-10(5-16-6-12(14)15)9-7-17-11-4-2-1-3-8(9)11/h1-4,7,10H,5-6,13H2,(H2,14,15)
InChIKeyPUQGHKNXTHZGJE-UHFFFAOYSA-N
XLogP1.40
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol
CID 94550401
4-(1-benzothiophen-3-yl)-3,4-dihydroxybutanamide
CID 171899320
5-amino-5-(1-benzothiophen-3-yl)pentan-2-one
CID 116940781
ethyl (3S)-3-amino-3-(1-benzothiophen-3-yl)-2-fluoropropanoate;hydrochloride
CID 171248065
ethyl 5-amino-5-(1-benzothiophen-3-yl)-3-methylpentanoate
CID 62942009
methyl 2-amino-2-(1-benzothiophen-3-yl)acetate;hydrochloride
CID 68972931
3-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide
CID 116850079
(1S)-1-(1-benzothiophen-3-yl)-4-methylpentan-1-amine
CID 29081655
1-(1-benzothiophen-3-yl)but-3-en-1-amine
CID 112693252
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
N-[2-(2-amino-2-oxoethoxy)ethyl]-1-benzothiophene-3-carboxamide
CID 122148632
(1S)-1-(1-benzothiophen-3-yl)-4,4,4-trifluorobutan-1-amine
CID 171224591

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-2-(1-benzothiophen-3-yl)ethoxy]acetamide?
The IUPAC name of 2-[2-amino-2-(1-benzothiophen-3-yl)ethoxy]acetamide (CID 61328580) is 2-[2-amino-2-(1-benzothiophen-3-yl)ethoxy]acetamide.
What is the SMILES notation for 2-[2-amino-2-(1-benzothiophen-3-yl)ethoxy]acetamide?
The canonical SMILES for 2-[2-amino-2-(1-benzothiophen-3-yl)ethoxy]acetamide is NC(=O)COCC(N)c1csc2ccccc12.
What is the InChIKey of 2-[2-amino-2-(1-benzothiophen-3-yl)ethoxy]acetamide?
The InChIKey is PUQGHKNXTHZGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c13-10(5-16-6-12(14)15)9-7-17-11-4-2-1-3-8(9)11/h1-4,7,10H,5-6,13H2,(H2,14,15).
What are the key properties of 2-[2-amino-2-(1-benzothiophen-3-yl)ethoxy]acetamide?
2-[2-amino-2-(1-benzothiophen-3-yl)ethoxy]acetamide has a molecular weight of 250.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-2-(1-benzothiophen-3-yl)ethoxy]acetamide is sourced from PubChem (CID 61328580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).