1-[5-(2-morpholin-4-ylethylamino)-1-benzothiophen-2-yl]ethanone

C16H20N2O2S — CID 143391189

IUPAC1-[5-(2-morpholin-4-ylethylamino)-1-benzothiophen-2-yl]ethanone
SMILESCC(=O)c1cc2cc(NCCN3CCOCC3)ccc2s1
InChIInChI=1S/C16H20N2O2S/c1-12(19)16-11-13-10-14(2-3-15(13)21-16)17-4-5-18-6-8-20-9-7-18/h2-3,10-11,17H,4-9H2,1H3
InChIKeyNSNFNLLYRGVJMI-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.85
Rot. Bonds5

About 1-[5-(2-morpholin-4-ylethylamino)-1-benzothiophen-2-yl]ethanone

1-[5-(2-morpholin-4-ylethylamino)-1-benzothiophen-2-yl]ethanone (PubChem CID 143391189) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[5-(2-morpholin-4-ylethylamino)-1-benzothiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-morpholin-4-ylethylamino)-1-benzothiophen-2-yl]ethanone
PubChem CID143391189
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name1-[5-(2-morpholin-4-ylethylamino)-1-benzothiophen-2-yl]ethanone
SMILESCC(=O)c1cc2cc(NCCN3CCOCC3)ccc2s1
InChIInChI=1S/C16H20N2O2S/c1-12(19)16-11-13-10-14(2-3-15(13)21-16)17-4-5-18-6-8-20-9-7-18/h2-3,10-11,17H,4-9H2,1H3
InChIKeyNSNFNLLYRGVJMI-UHFFFAOYSA-N
XLogP2.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-(2-morpholin-4-ylethylamino)benzoic acid
CID 81282507
3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28568493
3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28583324
N-(2-morpholin-4-ylethyl)-5-nitro-1-benzothiophen-2-amine
CID 101493973
3-bromo-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 39420305
N-(2-morpholin-4-ylethyl)-1H-indol-5-amine
CID 82539146
1-methyl-5-(2-morpholin-4-ylethylamino)-3H-indol-2-one
CID 98033832
1-methyl-N-(2-morpholin-4-ylethyl)quinolin-1-ium-7-amine
CID 46189572
N-(2-morpholin-4-ylethyl)-1H-indol-6-amine
CID 69376753
2-ethyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]butanamide
CID 112981413
(2S)-2-amino-3-[4-(2-morpholin-4-ylethylamino)phenyl]propanoic acid
CID 130323279
(E)-2-cyano-N-(4-hydroxy-2-methylbutan-2-yl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]but-2-enamide
CID 145041326

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-morpholin-4-ylethylamino)-1-benzothiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(2-morpholin-4-ylethylamino)-1-benzothiophen-2-yl]ethanone (CID 143391189) is 1-[5-(2-morpholin-4-ylethylamino)-1-benzothiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(2-morpholin-4-ylethylamino)-1-benzothiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(2-morpholin-4-ylethylamino)-1-benzothiophen-2-yl]ethanone is CC(=O)c1cc2cc(NCCN3CCOCC3)ccc2s1.
What is the InChIKey of 1-[5-(2-morpholin-4-ylethylamino)-1-benzothiophen-2-yl]ethanone?
The InChIKey is NSNFNLLYRGVJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12(19)16-11-13-10-14(2-3-15(13)21-16)17-4-5-18-6-8-20-9-7-18/h2-3,10-11,17H,4-9H2,1H3.
What are the key properties of 1-[5-(2-morpholin-4-ylethylamino)-1-benzothiophen-2-yl]ethanone?
1-[5-(2-morpholin-4-ylethylamino)-1-benzothiophen-2-yl]ethanone has a molecular weight of 304.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-morpholin-4-ylethylamino)-1-benzothiophen-2-yl]ethanone is sourced from PubChem (CID 143391189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).