N-(2-methoxyethyl)-3-[4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide

C21H26N4O3S — CID 110251329

IUPACN-(2-methoxyethyl)-3-[4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide
SMILESCOCCNC(=O)c1sc2ccccc2c1C1CN(Cc2ccnn2C)CCO1
InChIInChI=1S/C21H26N4O3S/c1-24-15(7-8-23-24)13-25-10-12-28-17(14-25)19-16-5-3-4-6-18(16)29-20(19)21(26)22-9-11-27-2/h3-8,17H,9-14H2,1-2H3,(H,22,26)
InChIKeySBGGGVMBXIIPKR-UHFFFAOYSA-N
MW414.53 g/mol
LogP2.58
Rot. Bonds7

About N-(2-methoxyethyl)-3-[4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide

N-(2-methoxyethyl)-3-[4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 110251329) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide
PubChem CID110251329
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC NameN-(2-methoxyethyl)-3-[4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide
SMILESCOCCNC(=O)c1sc2ccccc2c1C1CN(Cc2ccnn2C)CCO1
InChIInChI=1S/C21H26N4O3S/c1-24-15(7-8-23-24)13-25-10-12-28-17(14-25)19-16-5-3-4-6-18(16)29-20(19)21(26)22-9-11-27-2/h3-8,17H,9-14H2,1-2H3,(H,22,26)
InChIKeySBGGGVMBXIIPKR-UHFFFAOYSA-N
XLogP2.58
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92618919
N-(2-methoxyethyl)-3-[(2R)-4-(1-methylpyrazole-4-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92618595
3-[4-(1,5-dimethylpyrazole-4-carbonyl)morpholin-2-yl]-N-(2-methoxyethyl)-1-benzothiophene-2-carboxamide
CID 110251310
N-(2-methoxyethyl)-3-[(2R)-4-(1-methylimidazole-2-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 95816494
N-(2-methoxyethyl)-3-[(2S)-4-(1-methylimidazole-2-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 95816495
N-(2-hydroxyethyl)-3-[(2R)-4-(quinolin-4-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92618962
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
N-propan-2-yl-3-[(2S)-4-(quinolin-4-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92618961
N-(2-methoxyethyl)-3-[(2R)-morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 93083359
3-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide
CID 155983033
N-methyl-3-[4-(quinolin-4-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 110259853

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-[4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide (CID 110251329) is N-(2-methoxyethyl)-3-[4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide is COCCNC(=O)c1sc2ccccc2c1C1CN(Cc2ccnn2C)CCO1.
What is the InChIKey of N-(2-methoxyethyl)-3-[4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is SBGGGVMBXIIPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-24-15(7-8-23-24)13-25-10-12-28-17(14-25)19-16-5-3-4-6-18(16)29-20(19)21(26)22-9-11-27-2/h3-8,17H,9-14H2,1-2H3,(H,22,26).
What are the key properties of N-(2-methoxyethyl)-3-[4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide?
N-(2-methoxyethyl)-3-[4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 414.53 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 110251329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).