N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-phenylethoxy)acetamide

C20H21NO2S — CID 86871998

IUPACN-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-phenylethoxy)acetamide
SMILESO=C(COCCc1ccccc1)NCCc1csc2ccccc12
InChIInChI=1S/C20H21NO2S/c22-20(14-23-13-11-16-6-2-1-3-7-16)21-12-10-17-15-24-19-9-5-4-8-18(17)19/h1-9,15H,10-14H2,(H,21,22)
InChIKeyKQAIEEMGOXYSBI-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.82
Rot. Bonds8

About N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-phenylethoxy)acetamide

N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-phenylethoxy)acetamide (PubChem CID 86871998) has the molecular formula C20H21NO2S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-phenylethoxy)acetamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-phenylethoxy)acetamide
PubChem CID86871998
Molecular FormulaC20H21NO2S
Molecular Weight339.46 g/mol
Exact Mass339.13
IUPAC NameN-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-phenylethoxy)acetamide
SMILESO=C(COCCc1ccccc1)NCCc1csc2ccccc12
InChIInChI=1S/C20H21NO2S/c22-20(14-23-13-11-16-6-2-1-3-7-16)21-12-10-17-15-24-19-9-5-4-8-18(17)19/h1-9,15H,10-14H2,(H,21,22)
InChIKeyKQAIEEMGOXYSBI-UHFFFAOYSA-N
XLogP3.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide
CID 115139367
N-[2-(1-benzothiophen-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 112837044
N-(2-aminoethyl)-2-(2-phenylethoxy)acetamide
CID 114988878
methyl 2-[2-(1-benzothiophen-3-yl)ethylamino]-2-oxoacetate
CID 115142581
N-[2-(1-benzothiophen-3-yl)ethyl]-3-(2-fluorophenoxy)propanamide
CID 87005696
N-[2-(1-benzothiophen-3-yl)ethyl]-4-(4-fluorophenoxy)butanamide
CID 112837134
N-[2-(1-benzothiophen-3-yl)ethyl]-1-cyanoformamide
CID 115172576
N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexanecarboxamide
CID 87005605
N-[2-(1-benzothiophen-3-yl)ethyl]-2-methyl-2-phenylpropanamide
CID 112836983
N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 112836932
N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxybenzamide;methane
CID 161370454
methyl 4-[2-(1-benzothiophen-3-yl)ethylcarbamoyl]benzoate
CID 87005569

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-phenylethoxy)acetamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-phenylethoxy)acetamide (CID 86871998) is N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-phenylethoxy)acetamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-phenylethoxy)acetamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-phenylethoxy)acetamide is O=C(COCCc1ccccc1)NCCc1csc2ccccc12.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-phenylethoxy)acetamide?
The InChIKey is KQAIEEMGOXYSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2S/c22-20(14-23-13-11-16-6-2-1-3-7-16)21-12-10-17-15-24-19-9-5-4-8-18(17)19/h1-9,15H,10-14H2,(H,21,22).
What are the key properties of N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-phenylethoxy)acetamide?
N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-phenylethoxy)acetamide has a molecular weight of 339.46 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-phenylethoxy)acetamide is sourced from PubChem (CID 86871998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).