N-(2-methoxyethyl)-3-[(2R)-morpholin-2-yl]-1-benzothiophene-2-carboxamide

C16H20N2O3S — CID 93083359

IUPACN-(2-methoxyethyl)-3-[(2R)-morpholin-2-yl]-1-benzothiophene-2-carboxamide
SMILESCOCCNC(=O)c1sc2ccccc2c1[C@@H]1CNCCO1
InChIInChI=1S/C16H20N2O3S/c1-20-8-7-18-16(19)15-14(12-10-17-6-9-21-12)11-4-2-3-5-13(11)22-15/h2-5,12,17H,6-10H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyGYJOZTWAGQNZKH-LBPRGKRZSA-N
MW320.41 g/mol
LogP1.94
Rot. Bonds5

About N-(2-methoxyethyl)-3-[(2R)-morpholin-2-yl]-1-benzothiophene-2-carboxamide

N-(2-methoxyethyl)-3-[(2R)-morpholin-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 93083359) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[(2R)-morpholin-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[(2R)-morpholin-2-yl]-1-benzothiophene-2-carboxamide
PubChem CID93083359
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-(2-methoxyethyl)-3-[(2R)-morpholin-2-yl]-1-benzothiophene-2-carboxamide
SMILESCOCCNC(=O)c1sc2ccccc2c1[C@@H]1CNCCO1
InChIInChI=1S/C16H20N2O3S/c1-20-8-7-18-16(19)15-14(12-10-17-6-9-21-12)11-4-2-3-5-13(11)22-15/h2-5,12,17H,6-10H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyGYJOZTWAGQNZKH-LBPRGKRZSA-N
XLogP1.94
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-3-[(2R)-4-(1-methylpyrazole-4-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92618595
N-(2-methoxyethyl)-3-[4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 110251329
N-(2-methoxyethyl)-3-[(2S)-4-(1-methylimidazole-2-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 95816495
N-(2-methoxyethyl)-3-[(2R)-4-(1-methylimidazole-2-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 95816494
3-[4-(1,5-dimethylpyrazole-4-carbonyl)morpholin-2-yl]-N-(2-methoxyethyl)-1-benzothiophene-2-carboxamide
CID 110251310
3-[1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)-1-benzothiophene-2-carboxamide
CID 110251137
3-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)-1-benzothiophene-2-carboxamide
CID 110251037
3-[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)-1-benzothiophene-2-carboxamide
CID 95812510
3-(4-acetylmorpholin-2-yl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 110251209
3-(azepan-2-ylmethyl)-N-(2-methoxyethyl)-1-benzothiophene-2-carboxamide
CID 110085503
3-[(3R)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-(2-methoxyethyl)-1-benzothiophene-2-carboxamide
CID 95812712
N-(2-hydroxyethyl)-3-[4-(3-methoxybenzoyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 110251221

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[(2R)-morpholin-2-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-[(2R)-morpholin-2-yl]-1-benzothiophene-2-carboxamide (CID 93083359) is N-(2-methoxyethyl)-3-[(2R)-morpholin-2-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[(2R)-morpholin-2-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[(2R)-morpholin-2-yl]-1-benzothiophene-2-carboxamide is COCCNC(=O)c1sc2ccccc2c1[C@@H]1CNCCO1.
What is the InChIKey of N-(2-methoxyethyl)-3-[(2R)-morpholin-2-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is GYJOZTWAGQNZKH-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-20-8-7-18-16(19)15-14(12-10-17-6-9-21-12)11-4-2-3-5-13(11)22-15/h2-5,12,17H,6-10H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of N-(2-methoxyethyl)-3-[(2R)-morpholin-2-yl]-1-benzothiophene-2-carboxamide?
N-(2-methoxyethyl)-3-[(2R)-morpholin-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[(2R)-morpholin-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 93083359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).