1-(4-ethylphenyl)-4-oxo-N-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridazine-3-carboxamide

C26H28N4O4S — CID 42279611

About 1-(4-ethylphenyl)-4-oxo-N-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridazine-3-carboxamide

1-(4-ethylphenyl)-4-oxo-N-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridazine-3-carboxamide (PubChem CID 42279611) has the molecular formula C26H28N4O4S and a molecular weight of 492.60 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-4-oxo-N-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-ethylphenyl)-4-oxo-N-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridazine-3-carboxamide
• PubChem CID: 42279611
• Molecular Formula: C26H28N4O4S
• Molecular Weight: 492.60 g/mol
• Exact Mass: 492.18
• IUPAC Name: 1-(4-ethylphenyl)-4-oxo-N-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridazine-3-carboxamide
• SMILES: CCc1ccc(-n2ccc(=O)c(C(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCC4)n2)cc1
• InChI: InChI=1S/C26H28N4O4S/c1-2-16-8-10-17(11-9-16)30-13-12-20(31)23(29-30)25(33)28-26-22(19-6-3-7-21(19)35-26)24(32)27-15-18-5-4-14-34-18/h8-13,18H,2-7,14-15H2,1H3,(H,27,32)(H,28,33)/t18-/m1/s1
• InChIKey: OBJBMXCOLNYNMM-GOSISDBHSA-N
• XLogP: 3.51
• TPSA: 102.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.60
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-4-oxo-N-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridazine-3-carboxamide?

The IUPAC name of 1-(4-ethylphenyl)-4-oxo-N-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridazine-3-carboxamide (CID 42279611) is 1-(4-ethylphenyl)-4-oxo-N-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridazine-3-carboxamide.

What is the SMILES notation for 1-(4-ethylphenyl)-4-oxo-N-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridazine-3-carboxamide?

The canonical SMILES for 1-(4-ethylphenyl)-4-oxo-N-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridazine-3-carboxamide is CCc1ccc(-n2ccc(=O)c(C(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCC4)n2)cc1.

What is the InChIKey of 1-(4-ethylphenyl)-4-oxo-N-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridazine-3-carboxamide?

The InChIKey is OBJBMXCOLNYNMM-GOSISDBHSA-N. The full InChI is InChI=1S/C26H28N4O4S/c1-2-16-8-10-17(11-9-16)30-13-12-20(31)23(29-30)25(33)28-26-22(19-6-3-7-21(19)35-26)24(32)27-15-18-5-4-14-34-18/h8-13,18H,2-7,14-15H2,1H3,(H,27,32)(H,28,33)/t18-/m1/s1.

What are the key properties of 1-(4-ethylphenyl)-4-oxo-N-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridazine-3-carboxamide?

1-(4-ethylphenyl)-4-oxo-N-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridazine-3-carboxamide has a molecular weight of 492.60 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-ethylphenyl)-4-oxo-N-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 42279611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).