2-[1-(1-benzothiophen-2-yl)ethylamino]-N-ethylpropanamide

C15H20N2OS — CID 114909718

IUPAC2-[1-(1-benzothiophen-2-yl)ethylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC(C)c1cc2ccccc2s1
InChIInChI=1S/C15H20N2OS/c1-4-16-15(18)11(3)17-10(2)14-9-12-7-5-6-8-13(12)19-14/h5-11,17H,4H2,1-3H3,(H,16,18)
InChIKeyBNZNPRLEEMWPPA-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.08
Rot. Bonds5

About 2-[1-(1-benzothiophen-2-yl)ethylamino]-N-ethylpropanamide

2-[1-(1-benzothiophen-2-yl)ethylamino]-N-ethylpropanamide (PubChem CID 114909718) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-[1-(1-benzothiophen-2-yl)ethylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[1-(1-benzothiophen-2-yl)ethylamino]-N-ethylpropanamide
PubChem CID114909718
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name2-[1-(1-benzothiophen-2-yl)ethylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC(C)c1cc2ccccc2s1
InChIInChI=1S/C15H20N2OS/c1-4-16-15(18)11(3)17-10(2)14-9-12-7-5-6-8-13(12)19-14/h5-11,17H,4H2,1-3H3,(H,16,18)
InChIKeyBNZNPRLEEMWPPA-UHFFFAOYSA-N
XLogP3.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1-benzothiophen-2-yl)ethylamino]-N-tert-butylpropanamide
CID 104579257
N-[1-(1-benzothiophen-2-yl)ethyl]butan-2-amine
CID 115718240
N-ethyl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78952919
1-(1-benzothiophen-2-yl)-N-[(2-ethylphenyl)methyl]ethanamine
CID 114909932
2-[1-(1-benzothiophen-2-yl)ethylamino]-2-methylpentanoic acid
CID 114911111
3-[2-[1-(1-benzothiophen-2-yl)ethylamino]ethyl]-1,1-dimethylurea
CID 114910040
1-(1-benzothiophen-2-yl)-N-methoxyethanamine
CID 114910021
N-[1-(1-benzothiophen-2-yl)ethyl]-1-cyclopropylethanamine
CID 113250231
(1R)-1-(1-benzothiophen-2-yl)propan-1-ol
CID 171099380
ethyl (3S)-3-(1-benzothiophen-2-yl)-3-hydroxypropanoate
CID 42631132
1-[1-(1-benzothiophen-2-yl)ethylamino]butan-2-ol
CID 113429047
N-[1-(1-benzothiophen-2-yl)ethyl]-4-methylsulfinylbutan-2-amine
CID 114910082

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzothiophen-2-yl)ethylamino]-N-ethylpropanamide?
The IUPAC name of 2-[1-(1-benzothiophen-2-yl)ethylamino]-N-ethylpropanamide (CID 114909718) is 2-[1-(1-benzothiophen-2-yl)ethylamino]-N-ethylpropanamide.
What is the SMILES notation for 2-[1-(1-benzothiophen-2-yl)ethylamino]-N-ethylpropanamide?
The canonical SMILES for 2-[1-(1-benzothiophen-2-yl)ethylamino]-N-ethylpropanamide is CCNC(=O)C(C)NC(C)c1cc2ccccc2s1.
What is the InChIKey of 2-[1-(1-benzothiophen-2-yl)ethylamino]-N-ethylpropanamide?
The InChIKey is BNZNPRLEEMWPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-4-16-15(18)11(3)17-10(2)14-9-12-7-5-6-8-13(12)19-14/h5-11,17H,4H2,1-3H3,(H,16,18).
What are the key properties of 2-[1-(1-benzothiophen-2-yl)ethylamino]-N-ethylpropanamide?
2-[1-(1-benzothiophen-2-yl)ethylamino]-N-ethylpropanamide has a molecular weight of 276.40 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzothiophen-2-yl)ethylamino]-N-ethylpropanamide is sourced from PubChem (CID 114909718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).