N-(2-hydroxyethyl)-3-[4-(2-methoxy-2-methylpropanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

C19H25N3O5S — CID 127248424

IUPACN-(2-hydroxyethyl)-3-[4-(2-methoxy-2-methylpropanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCOC(C)(C)C(=O)N1CCOC(c2c(C(=O)NCCO)sc3ncccc23)C1
InChIInChI=1S/C19H25N3O5S/c1-19(2,26-3)18(25)22-8-10-27-13(11-22)14-12-5-4-6-21-17(12)28-15(14)16(24)20-7-9-23/h4-6,13,23H,7-11H2,1-3H3,(H,20,24)
InChIKeyACAODESTBNXBLI-UHFFFAOYSA-N
MW407.49 g/mol
LogP1.34
Rot. Bonds6

About N-(2-hydroxyethyl)-3-[4-(2-methoxy-2-methylpropanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

N-(2-hydroxyethyl)-3-[4-(2-methoxy-2-methylpropanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 127248424) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[4-(2-methoxy-2-methylpropanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[4-(2-methoxy-2-methylpropanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID127248424
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC NameN-(2-hydroxyethyl)-3-[4-(2-methoxy-2-methylpropanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCOC(C)(C)C(=O)N1CCOC(c2c(C(=O)NCCO)sc3ncccc23)C1
InChIInChI=1S/C19H25N3O5S/c1-19(2,26-3)18(25)22-8-10-27-13(11-22)14-12-5-4-6-21-17(12)28-15(14)16(24)20-7-9-23/h4-6,13,23H,7-11H2,1-3H3,(H,20,24)
InChIKeyACAODESTBNXBLI-UHFFFAOYSA-N
XLogP1.34
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-hydroxyethyl)-3-[(2S)-4-(2-methoxy-2-methylpropanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 129360935
N-(2-hydroxyethyl)-3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 127248389
N-propan-2-yl-3-[(2S)-4-(2-propan-2-yloxyacetyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 129360930
3-[(2R)-4-(3-methylbutanoyl)morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 129360940
N-(2-hydroxyethyl)-3-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 127248322
3-[(2R)-4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 92619041
3-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 92619483
N-(2-hydroxyethyl)-3-[4-(3-methoxybenzoyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 110251221
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
3-[(2R)-4-[2-(azepan-1-yl)acetyl]morpholin-2-yl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 92619426
3-(1-benzoylpyrrolidin-3-yl)-N-(2-methoxyethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 127248233

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[4-(2-methoxy-2-methylpropanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[4-(2-methoxy-2-methylpropanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 127248424) is N-(2-hydroxyethyl)-3-[4-(2-methoxy-2-methylpropanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[4-(2-methoxy-2-methylpropanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[4-(2-methoxy-2-methylpropanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide is COC(C)(C)C(=O)N1CCOC(c2c(C(=O)NCCO)sc3ncccc23)C1.
What is the InChIKey of N-(2-hydroxyethyl)-3-[4-(2-methoxy-2-methylpropanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ACAODESTBNXBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S/c1-19(2,26-3)18(25)22-8-10-27-13(11-22)14-12-5-4-6-21-17(12)28-15(14)16(24)20-7-9-23/h4-6,13,23H,7-11H2,1-3H3,(H,20,24).
What are the key properties of N-(2-hydroxyethyl)-3-[4-(2-methoxy-2-methylpropanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
N-(2-hydroxyethyl)-3-[4-(2-methoxy-2-methylpropanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 407.49 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-[4-(2-methoxy-2-methylpropanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 127248424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).