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

C19H25N3O5S — CID 129360935

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

N-(2-hydroxyethyl)-3-[(2S)-4-(2-methoxy-2-methylpropanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 129360935) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[(2S)-4-(2-methoxy-2-methylpropanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-hydroxyethyl)-3-[(2S)-4-(2-methoxy-2-methylpropanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 129360935
• Molecular Formula: C19H25N3O5S
• Molecular Weight: 407.49 g/mol
• Exact Mass: 407.15
• IUPAC Name: N-(2-hydroxyethyl)-3-[(2S)-4-(2-methoxy-2-methylpropanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: COC(C)(C)C(=O)N1CCO[C@@H](c2c(C(=O)NCCO)sc3ncccc23)C1
• InChI: 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)/t13-/m1/s1
• InChIKey: ACAODESTBNXBLI-CYBMUJFWSA-N
• XLogP: 1.34
• TPSA: 100.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.49
LogP ≤ 5	1.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[(2S)-4-(2-methoxy-2-methylpropanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of N-(2-hydroxyethyl)-3-[(2S)-4-(2-methoxy-2-methylpropanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 129360935) is N-(2-hydroxyethyl)-3-[(2S)-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-[(2S)-4-(2-methoxy-2-methylpropanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for N-(2-hydroxyethyl)-3-[(2S)-4-(2-methoxy-2-methylpropanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide is COC(C)(C)C(=O)N1CCO[C@@H](c2c(C(=O)NCCO)sc3ncccc23)C1.

What is the InChIKey of N-(2-hydroxyethyl)-3-[(2S)-4-(2-methoxy-2-methylpropanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is ACAODESTBNXBLI-CYBMUJFWSA-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)/t13-/m1/s1.

What are the key properties of N-(2-hydroxyethyl)-3-[(2S)-4-(2-methoxy-2-methylpropanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?

N-(2-hydroxyethyl)-3-[(2S)-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-[(2S)-4-(2-methoxy-2-methylpropanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 129360935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).