3-(1-benzothiophen-3-yl)-N-(2-morpholin-4-ylethyl)benzamide

C21H22N2O2S — CID 117085245

IUPAC3-(1-benzothiophen-3-yl)-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1cccc(-c2csc3ccccc23)c1
InChIInChI=1S/C21H22N2O2S/c24-21(22-8-9-23-10-12-25-13-11-23)17-5-3-4-16(14-17)19-15-26-20-7-2-1-6-18(19)20/h1-7,14-15H,8-13H2,(H,22,24)
InChIKeyAYLGDASDXFYJSP-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.63
Rot. Bonds5

About 3-(1-benzothiophen-3-yl)-N-(2-morpholin-4-ylethyl)benzamide

3-(1-benzothiophen-3-yl)-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 117085245) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-yl)-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-(1-benzothiophen-3-yl)-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID117085245
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name3-(1-benzothiophen-3-yl)-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1cccc(-c2csc3ccccc23)c1
InChIInChI=1S/C21H22N2O2S/c24-21(22-8-9-23-10-12-25-13-11-23)17-5-3-4-16(14-17)19-15-26-20-7-2-1-6-18(19)20/h1-7,14-15H,8-13H2,(H,22,24)
InChIKeyAYLGDASDXFYJSP-UHFFFAOYSA-N
XLogP3.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylquinolin-4-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 118779645
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
3-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 118781591
6-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 121495695
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 109053296
3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109053343
3-imidazo[1,2-b]pyridazin-3-yl-N-(2-morpholin-4-ylethyl)benzamide
CID 122562053
3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 17226356
3-(methoxymethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 51218992
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
N-(2-morpholin-4-ylethyl)-6-oxo-5H-phenanthridine-3-carboxamide
CID 10132635

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-yl)-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-(1-benzothiophen-3-yl)-N-(2-morpholin-4-ylethyl)benzamide (CID 117085245) is 3-(1-benzothiophen-3-yl)-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-(1-benzothiophen-3-yl)-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-(1-benzothiophen-3-yl)-N-(2-morpholin-4-ylethyl)benzamide is O=C(NCCN1CCOCC1)c1cccc(-c2csc3ccccc23)c1.
What is the InChIKey of 3-(1-benzothiophen-3-yl)-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is AYLGDASDXFYJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c24-21(22-8-9-23-10-12-25-13-11-23)17-5-3-4-16(14-17)19-15-26-20-7-2-1-6-18(19)20/h1-7,14-15H,8-13H2,(H,22,24).
What are the key properties of 3-(1-benzothiophen-3-yl)-N-(2-morpholin-4-ylethyl)benzamide?
3-(1-benzothiophen-3-yl)-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 366.49 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-3-yl)-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 117085245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).