2-methyl-N-[2-methyl-4-[5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide

C24H26N4O2S — CID 133157293

About 2-methyl-N-[2-methyl-4-[5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide

2-methyl-N-[2-methyl-4-[5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide (PubChem CID 133157293) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is 2-methyl-N-[2-methyl-4-[5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide.

Molecular Properties

• Compound Name: 2-methyl-N-[2-methyl-4-[5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide
• PubChem CID: 133157293
• Molecular Formula: C24H26N4O2S
• Molecular Weight: 434.57 g/mol
• Exact Mass: 434.18
• IUPAC Name: 2-methyl-N-[2-methyl-4-[5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide
• SMILES: Cc1ccc(C2C(c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)o1
• InChI: InChI=1S/C24H26N4O2S/c1-14(2)23(29)26-18-10-9-17(13-15(18)3)28-22(20-11-8-16(4)30-20)21(27-24(28)31)19-7-5-6-12-25-19/h5-14,21-22H,1-4H3,(H,26,29)(H,27,31)
• InChIKey: UBYDMOPBEFIYAA-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 70.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.57
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-methyl-4-[5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide?

The IUPAC name of 2-methyl-N-[2-methyl-4-[5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide (CID 133157293) is 2-methyl-N-[2-methyl-4-[5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide.

What is the SMILES notation for 2-methyl-N-[2-methyl-4-[5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide?

The canonical SMILES for 2-methyl-N-[2-methyl-4-[5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide is Cc1ccc(C2C(c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)o1.

What is the InChIKey of 2-methyl-N-[2-methyl-4-[5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide?

The InChIKey is UBYDMOPBEFIYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-14(2)23(29)26-18-10-9-17(13-15(18)3)28-22(20-11-8-16(4)30-20)21(27-24(28)31)19-7-5-6-12-25-19/h5-14,21-22H,1-4H3,(H,26,29)(H,27,31).

What are the key properties of 2-methyl-N-[2-methyl-4-[5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide?

2-methyl-N-[2-methyl-4-[5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide has a molecular weight of 434.57 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[2-methyl-4-[5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide is sourced from PubChem (CID 133157293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).