thieno[3,2-b]thiophen-5-yl N-[1-oxo-1-[6-oxo-4-(pyridin-3-ylmethylsulfonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-3-thiophen-2-ylpropan-2-yl]carbamate

C26H24N4O6S4 — CID 68891313

About thieno[3,2-b]thiophen-5-yl N-[1-oxo-1-[6-oxo-4-(pyridin-3-ylmethylsulfonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-3-thiophen-2-ylpropan-2-yl]carbamate

thieno[3,2-b]thiophen-5-yl N-[1-oxo-1-[6-oxo-4-(pyridin-3-ylmethylsulfonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-3-thiophen-2-ylpropan-2-yl]carbamate (PubChem CID 68891313) has the molecular formula C26H24N4O6S4 and a molecular weight of 616.77 g/mol. Its IUPAC name is thieno[3,2-b]thiophen-5-yl N-[1-oxo-1-[6-oxo-4-(pyridin-3-ylmethylsulfonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-3-thiophen-2-ylpropan-2-yl]carbamate.

Molecular Properties

• Compound Name: thieno[3,2-b]thiophen-5-yl N-[1-oxo-1-[6-oxo-4-(pyridin-3-ylmethylsulfonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-3-thiophen-2-ylpropan-2-yl]carbamate
• PubChem CID: 68891313
• Molecular Formula: C26H24N4O6S4
• Molecular Weight: 616.77 g/mol
• Exact Mass: 616.06
• IUPAC Name: thieno[3,2-b]thiophen-5-yl N-[1-oxo-1-[6-oxo-4-(pyridin-3-ylmethylsulfonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-3-thiophen-2-ylpropan-2-yl]carbamate
• SMILES: O=C(NC(Cc1cccs1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1cccnc1)Oc1cc2sccc2s1
• InChI: InChI=1S/C26H24N4O6S4/c31-20-14-30(40(34,35)15-16-3-1-7-27-13-16)19-5-8-29(24(19)20)25(32)18(11-17-4-2-9-37-17)28-26(33)36-23-12-22-21(39-23)6-10-38-22/h1-4,6-7,9-10,12-13,18-19,24H,5,8,11,14-15H2,(H,28,33)
• InChIKey: HGLJEKXGXFLGGY-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 125.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	616.77
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of thieno[3,2-b]thiophen-5-yl N-[1-oxo-1-[6-oxo-4-(pyridin-3-ylmethylsulfonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-3-thiophen-2-ylpropan-2-yl]carbamate?

The IUPAC name of thieno[3,2-b]thiophen-5-yl N-[1-oxo-1-[6-oxo-4-(pyridin-3-ylmethylsulfonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-3-thiophen-2-ylpropan-2-yl]carbamate (CID 68891313) is thieno[3,2-b]thiophen-5-yl N-[1-oxo-1-[6-oxo-4-(pyridin-3-ylmethylsulfonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-3-thiophen-2-ylpropan-2-yl]carbamate.

What is the SMILES notation for thieno[3,2-b]thiophen-5-yl N-[1-oxo-1-[6-oxo-4-(pyridin-3-ylmethylsulfonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-3-thiophen-2-ylpropan-2-yl]carbamate?

The canonical SMILES for thieno[3,2-b]thiophen-5-yl N-[1-oxo-1-[6-oxo-4-(pyridin-3-ylmethylsulfonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-3-thiophen-2-ylpropan-2-yl]carbamate is O=C(NC(Cc1cccs1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1cccnc1)Oc1cc2sccc2s1.

What is the InChIKey of thieno[3,2-b]thiophen-5-yl N-[1-oxo-1-[6-oxo-4-(pyridin-3-ylmethylsulfonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-3-thiophen-2-ylpropan-2-yl]carbamate?

The InChIKey is HGLJEKXGXFLGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O6S4/c31-20-14-30(40(34,35)15-16-3-1-7-27-13-16)19-5-8-29(24(19)20)25(32)18(11-17-4-2-9-37-17)28-26(33)36-23-12-22-21(39-23)6-10-38-22/h1-4,6-7,9-10,12-13,18-19,24H,5,8,11,14-15H2,(H,28,33).

What are the key properties of thieno[3,2-b]thiophen-5-yl N-[1-oxo-1-[6-oxo-4-(pyridin-3-ylmethylsulfonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-3-thiophen-2-ylpropan-2-yl]carbamate?

thieno[3,2-b]thiophen-5-yl N-[1-oxo-1-[6-oxo-4-(pyridin-3-ylmethylsulfonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-3-thiophen-2-ylpropan-2-yl]carbamate has a molecular weight of 616.77 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for thieno[3,2-b]thiophen-5-yl N-[1-oxo-1-[6-oxo-4-(pyridin-3-ylmethylsulfonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-3-thiophen-2-ylpropan-2-yl]carbamate is sourced from PubChem (CID 68891313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).