2-[(3R)-morpholin-3-yl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide

C15H22N2O2S — CID 95727024

IUPAC2-[(3R)-morpholin-3-yl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide
SMILESO=C(C[C@@H]1COCCN1)NCc1csc2c1CCCC2
InChIInChI=1S/C15H22N2O2S/c18-15(7-12-9-19-6-5-16-12)17-8-11-10-20-14-4-2-1-3-13(11)14/h10,12,16H,1-9H2,(H,17,18)/t12-/m1/s1
InChIKeyQEJUMANLVCKNPF-GFCCVEGCSA-N
MW294.42 g/mol
LogP1.62
Rot. Bonds4

About 2-[(3R)-morpholin-3-yl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide

2-[(3R)-morpholin-3-yl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide (PubChem CID 95727024) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[(3R)-morpholin-3-yl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-morpholin-3-yl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide
PubChem CID95727024
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-[(3R)-morpholin-3-yl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide
SMILESO=C(C[C@@H]1COCCN1)NCc1csc2c1CCCC2
InChIInChI=1S/C15H22N2O2S/c18-15(7-12-9-19-6-5-16-12)17-8-11-10-20-14-4-2-1-3-13(11)14/h10,12,16H,1-9H2,(H,17,18)/t12-/m1/s1
InChIKeyQEJUMANLVCKNPF-GFCCVEGCSA-N
XLogP1.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3R)-morpholin-3-yl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide with MolForge

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Related Compounds

N-[(4-methyl-3-pyridinyl)methyl]-2-morpholin-3-ylacetamide
CID 114956082
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3S)-morpholin-3-yl]acetamide
CID 95719072
2-morpholin-3-yl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide
CID 56894102
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-[(3R)-morpholin-3-yl]acetamide
CID 95717466
N-(morpholin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
CID 103548549
N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154910526
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-morpholin-3-ylacetamide
CID 105417370
2,7-dioxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-1,3-diazepane-4-carboxamide
CID 74240906
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-morpholin-3-ylacetamide
CID 106371651
N-(2-methylprop-2-enyl)-2-morpholin-3-ylacetamide
CID 114617037
N-(2-cyclopentyl-2-methylpropyl)-2-morpholin-3-ylacetamide
CID 115178172
1-(5-methylthiophen-3-yl)-2-morpholin-3-ylethanone
CID 116595850

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-morpholin-3-yl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-[(3R)-morpholin-3-yl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide (CID 95727024) is 2-[(3R)-morpholin-3-yl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3R)-morpholin-3-yl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(3R)-morpholin-3-yl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide is O=C(C[C@@H]1COCCN1)NCc1csc2c1CCCC2.
What is the InChIKey of 2-[(3R)-morpholin-3-yl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide?
The InChIKey is QEJUMANLVCKNPF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O2S/c18-15(7-12-9-19-6-5-16-12)17-8-11-10-20-14-4-2-1-3-13(11)14/h10,12,16H,1-9H2,(H,17,18)/t12-/m1/s1.
What are the key properties of 2-[(3R)-morpholin-3-yl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide?
2-[(3R)-morpholin-3-yl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide has a molecular weight of 294.42 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-morpholin-3-yl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 95727024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).