2-[3-(dibutylamino)propyl]-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H32N2O3S — CID 4702804

About 2-[3-(dibutylamino)propyl]-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-[3-(dibutylamino)propyl]-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4702804) has the molecular formula C26H32N2O3S and a molecular weight of 452.62 g/mol. Its IUPAC name is 2-[3-(dibutylamino)propyl]-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-[3-(dibutylamino)propyl]-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 4702804
• Molecular Formula: C26H32N2O3S
• Molecular Weight: 452.62 g/mol
• Exact Mass: 452.21
• IUPAC Name: 2-[3-(dibutylamino)propyl]-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCCCN(CCCC)CCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccs1
• InChI: InChI=1S/C26H32N2O3S/c1-3-5-14-27(15-6-4-2)16-10-17-28-23(21-13-9-18-32-21)22-24(29)19-11-7-8-12-20(19)31-25(22)26(28)30/h7-9,11-13,18,23H,3-6,10,14-17H2,1-2H3
• InChIKey: JFSZEOUEKFXMMD-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 53.76 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.62
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dibutylamino)propyl]-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 2-[3-(dibutylamino)propyl]-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4702804) is 2-[3-(dibutylamino)propyl]-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 2-[3-(dibutylamino)propyl]-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 2-[3-(dibutylamino)propyl]-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCCN(CCCC)CCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccs1.

What is the InChIKey of 2-[3-(dibutylamino)propyl]-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is JFSZEOUEKFXMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3S/c1-3-5-14-27(15-6-4-2)16-10-17-28-23(21-13-9-18-32-21)22-24(29)19-11-7-8-12-20(19)31-25(22)26(28)30/h7-9,11-13,18,23H,3-6,10,14-17H2,1-2H3.

What are the key properties of 2-[3-(dibutylamino)propyl]-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

2-[3-(dibutylamino)propyl]-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 452.62 g/mol, XLogP of 5.69, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(dibutylamino)propyl]-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4702804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).