N-(2-methoxyethyl)-4-(6-thiomorpholin-4-yl-3-pyridinyl)benzamide

C19H23N3O2S — CID 53149964

IUPACN-(2-methoxyethyl)-4-(6-thiomorpholin-4-yl-3-pyridinyl)benzamide
SMILESCOCCNC(=O)c1ccc(-c2ccc(N3CCSCC3)nc2)cc1
InChIInChI=1S/C19H23N3O2S/c1-24-11-8-20-19(23)16-4-2-15(3-5-16)17-6-7-18(21-14-17)22-9-12-25-13-10-22/h2-7,14H,8-13H2,1H3,(H,20,23)
InChIKeyZODJHJCJFNNGFK-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.68
Rot. Bonds6

About N-(2-methoxyethyl)-4-(6-thiomorpholin-4-yl-3-pyridinyl)benzamide

N-(2-methoxyethyl)-4-(6-thiomorpholin-4-yl-3-pyridinyl)benzamide (PubChem CID 53149964) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(6-thiomorpholin-4-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(6-thiomorpholin-4-yl-3-pyridinyl)benzamide
PubChem CID53149964
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-(2-methoxyethyl)-4-(6-thiomorpholin-4-yl-3-pyridinyl)benzamide
SMILESCOCCNC(=O)c1ccc(-c2ccc(N3CCSCC3)nc2)cc1
InChIInChI=1S/C19H23N3O2S/c1-24-11-8-20-19(23)16-4-2-15(3-5-16)17-6-7-18(21-14-17)22-9-12-25-13-10-22/h2-7,14H,8-13H2,1H3,(H,20,23)
InChIKeyZODJHJCJFNNGFK-UHFFFAOYSA-N
XLogP2.68
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[6-(azepan-1-yl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 53149949
6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153028
N-[(2S)-butan-2-yl]-4-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 95097436
6-[4-(2-fluoroanilino)piperidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 133330872
4-(4-aminophenyl)-N-(2-methoxyethyl)benzamide
CID 91665664
N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119505612
6-[3-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 75371100
N-(2-methoxyethyl)-4-[6-[4-(2-methoxyethylcarbamoyl)phenyl]pyrimidin-4-yl]benzamide
CID 11080574
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 4985607
N-(furan-2-ylmethyl)-4-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 53149916
N-[2-(2-phenylphenoxy)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 52876890
6-(azepan-1-yl)-N-[2-(4-fluorophenoxy)ethyl]pyridine-3-carboxamide
CID 37360268

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(6-thiomorpholin-4-yl-3-pyridinyl)benzamide?
The IUPAC name of N-(2-methoxyethyl)-4-(6-thiomorpholin-4-yl-3-pyridinyl)benzamide (CID 53149964) is N-(2-methoxyethyl)-4-(6-thiomorpholin-4-yl-3-pyridinyl)benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-(6-thiomorpholin-4-yl-3-pyridinyl)benzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-(6-thiomorpholin-4-yl-3-pyridinyl)benzamide is COCCNC(=O)c1ccc(-c2ccc(N3CCSCC3)nc2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-(6-thiomorpholin-4-yl-3-pyridinyl)benzamide?
The InChIKey is ZODJHJCJFNNGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-24-11-8-20-19(23)16-4-2-15(3-5-16)17-6-7-18(21-14-17)22-9-12-25-13-10-22/h2-7,14H,8-13H2,1H3,(H,20,23).
What are the key properties of N-(2-methoxyethyl)-4-(6-thiomorpholin-4-yl-3-pyridinyl)benzamide?
N-(2-methoxyethyl)-4-(6-thiomorpholin-4-yl-3-pyridinyl)benzamide has a molecular weight of 357.48 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(6-thiomorpholin-4-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 53149964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).