3-amino-N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide

C25H32N4O2S2 — CID 23916871

About 3-amino-N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23916871) has the molecular formula C25H32N4O2S2 and a molecular weight of 484.69 g/mol. Its IUPAC name is 3-amino-N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 23916871
• Molecular Formula: C25H32N4O2S2
• Molecular Weight: 484.69 g/mol
• Exact Mass: 484.20
• IUPAC Name: 3-amino-N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
• SMILES: CC(C)Cc1ccc2c(N)c(C(=O)Nc3sc4c(c3C(N)=O)CCC(C(C)(C)C)C4)sc2n1
• InChI: InChI=1S/C25H32N4O2S2/c1-12(2)10-14-7-9-16-19(26)20(33-23(16)28-14)22(31)29-24-18(21(27)30)15-8-6-13(25(3,4)5)11-17(15)32-24/h7,9,12-13H,6,8,10-11,26H2,1-5H3,(H2,27,30)(H,29,31)
• InChIKey: NFHVMUCZHJHWAB-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 111.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.69
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide (CID 23916871) is 3-amino-N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide is CC(C)Cc1ccc2c(N)c(C(=O)Nc3sc4c(c3C(N)=O)CCC(C(C)(C)C)C4)sc2n1.

What is the InChIKey of 3-amino-N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is NFHVMUCZHJHWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2S2/c1-12(2)10-14-7-9-16-19(26)20(33-23(16)28-14)22(31)29-24-18(21(27)30)15-8-6-13(25(3,4)5)11-17(15)32-24/h7,9,12-13H,6,8,10-11,26H2,1-5H3,(H2,27,30)(H,29,31).

What are the key properties of 3-amino-N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 484.69 g/mol, XLogP of 5.64, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23916871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).