(4R)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide

C21H18N2O3S — CID 26433593

About (4R)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide

(4R)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 26433593) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is (4R)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: (4R)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 26433593
• Molecular Formula: C21H18N2O3S
• Molecular Weight: 378.45 g/mol
• Exact Mass: 378.10
• IUPAC Name: (4R)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1c(C(=O)Nc2ccccc2)sc2c1[C@@H](c1cccc(O)c1)CC(=O)N2
• InChI: InChI=1S/C21H18N2O3S/c1-12-18-16(13-6-5-9-15(24)10-13)11-17(25)23-21(18)27-19(12)20(26)22-14-7-3-2-4-8-14/h2-10,16,24H,11H2,1H3,(H,22,26)(H,23,25)/t16-/m1/s1
• InChIKey: GSZQOCPVPRQTQO-MRXNPFEDSA-N
• XLogP: 4.49
• TPSA: 78.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.45
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of (4R)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (CID 26433593) is (4R)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for (4R)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for (4R)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is Cc1c(C(=O)Nc2ccccc2)sc2c1[C@@H](c1cccc(O)c1)CC(=O)N2.

What is the InChIKey of (4R)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is GSZQOCPVPRQTQO-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-12-18-16(13-6-5-9-15(24)10-13)11-17(25)23-21(18)27-19(12)20(26)22-14-7-3-2-4-8-14/h2-10,16,24H,11H2,1H3,(H,22,26)(H,23,25)/t16-/m1/s1.

What are the key properties of (4R)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?

(4R)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 4.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 26433593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).