2-[1-(1-benzothiophen-2-yl)ethylamino]-N-tert-butylpropanamide

C17H24N2OS — CID 104579257

IUPAC2-[1-(1-benzothiophen-2-yl)ethylamino]-N-tert-butylpropanamide
SMILESCC(NC(C)c1cc2ccccc2s1)C(=O)NC(C)(C)C
InChIInChI=1S/C17H24N2OS/c1-11(18-12(2)16(20)19-17(3,4)5)15-10-13-8-6-7-9-14(13)21-15/h6-12,18H,1-5H3,(H,19,20)
InChIKeySJBJSDHVEOCVDY-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.86
Rot. Bonds4

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

2-[1-(1-benzothiophen-2-yl)ethylamino]-N-tert-butylpropanamide (PubChem CID 104579257) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-[1-(1-benzothiophen-2-yl)ethylamino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[1-(1-benzothiophen-2-yl)ethylamino]-N-tert-butylpropanamide
PubChem CID104579257
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name2-[1-(1-benzothiophen-2-yl)ethylamino]-N-tert-butylpropanamide
SMILESCC(NC(C)c1cc2ccccc2s1)C(=O)NC(C)(C)C
InChIInChI=1S/C17H24N2OS/c1-11(18-12(2)16(20)19-17(3,4)5)15-10-13-8-6-7-9-14(13)21-15/h6-12,18H,1-5H3,(H,19,20)
InChIKeySJBJSDHVEOCVDY-UHFFFAOYSA-N
XLogP3.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(1-benzothiophen-2-yl)ethylamino]-N-tert-butylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(1-benzothiophen-2-yl)ethylamino]-N-ethylpropanamide
CID 114909718
2-[1-(1-benzofuran-2-yl)ethylamino]-N-tert-butylpropanamide
CID 115574060
N-[1-(1-benzothiophen-2-yl)ethyl]butan-2-amine
CID 115718240
1-(1-benzothiophen-2-yl)-N-methoxyethanamine
CID 114910021
N-[1-(1-benzothiophen-2-yl)ethyl]-1-cyclopropylethanamine
CID 113250231
2-[1-(1-benzothiophen-2-yl)ethylamino]-2-methylpentanoic acid
CID 114911111
(3R)-3-(1-benzothiophen-2-yl)-3-hydroxypropanoic acid
CID 102424617
(1R)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 104982876
N-tert-butyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide
CID 115574031
3-(1-benzothiophen-2-yl)butan-2-ol
CID 67935656
(1S)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 104982897
(1R)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(2-bromophenyl)ethanamine
CID 104982881

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzothiophen-2-yl)ethylamino]-N-tert-butylpropanamide?
The IUPAC name of 2-[1-(1-benzothiophen-2-yl)ethylamino]-N-tert-butylpropanamide (CID 104579257) is 2-[1-(1-benzothiophen-2-yl)ethylamino]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[1-(1-benzothiophen-2-yl)ethylamino]-N-tert-butylpropanamide?
The canonical SMILES for 2-[1-(1-benzothiophen-2-yl)ethylamino]-N-tert-butylpropanamide is CC(NC(C)c1cc2ccccc2s1)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[1-(1-benzothiophen-2-yl)ethylamino]-N-tert-butylpropanamide?
The InChIKey is SJBJSDHVEOCVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-11(18-12(2)16(20)19-17(3,4)5)15-10-13-8-6-7-9-14(13)21-15/h6-12,18H,1-5H3,(H,19,20).
What are the key properties of 2-[1-(1-benzothiophen-2-yl)ethylamino]-N-tert-butylpropanamide?
2-[1-(1-benzothiophen-2-yl)ethylamino]-N-tert-butylpropanamide has a molecular weight of 304.46 g/mol, XLogP of 3.86, 4 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-tert-butylpropanamide is sourced from PubChem (CID 104579257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).