thiophen-2-yl N-[1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]carbamate

C22H24N4O5S — CID 68891306

About thiophen-2-yl N-[1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]carbamate

thiophen-2-yl N-[1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]carbamate (PubChem CID 68891306) has the molecular formula C22H24N4O5S and a molecular weight of 456.52 g/mol. Its IUPAC name is thiophen-2-yl N-[1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]carbamate.

Molecular Properties

• Compound Name: thiophen-2-yl N-[1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]carbamate
• PubChem CID: 68891306
• Molecular Formula: C22H24N4O5S
• Molecular Weight: 456.52 g/mol
• Exact Mass: 456.15
• IUPAC Name: thiophen-2-yl N-[1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]carbamate
• SMILES: CCCC(NC(=O)Oc1cccs1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1
• InChI: InChI=1S/C22H24N4O5S/c1-2-6-15(24-22(30)31-18-8-5-12-32-18)21(29)25-11-9-16-19(25)17(27)13-26(16)20(28)14-7-3-4-10-23-14/h3-5,7-8,10,12,15-16,19H,2,6,9,11,13H2,1H3,(H,24,30)
• InChIKey: CLHNORAXIKBYFL-UHFFFAOYSA-N
• XLogP: 2.09
• TPSA: 108.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.52
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of thiophen-2-yl N-[1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]carbamate (CID 68891306) is thiophen-2-yl N-[1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]carbamate.

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

The canonical SMILES for thiophen-2-yl N-[1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]carbamate is CCCC(NC(=O)Oc1cccs1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1.

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

The InChIKey is CLHNORAXIKBYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5S/c1-2-6-15(24-22(30)31-18-8-5-12-32-18)21(29)25-11-9-16-19(25)17(27)13-26(16)20(28)14-7-3-4-10-23-14/h3-5,7-8,10,12,15-16,19H,2,6,9,11,13H2,1H3,(H,24,30).

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

thiophen-2-yl N-[1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]carbamate has a molecular weight of 456.52 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for thiophen-2-yl N-[1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]carbamate is sourced from PubChem (CID 68891306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).