N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one

C₃₉H₃₄N₈O₄S₃ — CID 158856380

About N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one

N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one (PubChem CID 158856380) has the molecular formula C₃₉H₃₄N₈O₄S₃ and a molecular weight of 774.95 g/mol. Its IUPAC name is N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one.

Molecular Properties

• Compound Name: N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one
• PubChem CID: 158856380
• Molecular Formula: C₃₉H₃₄N₈O₄S₃
• Molecular Weight: 774.95 g/mol
• Exact Mass: 774.19
• IUPAC Name: N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one
• SMILES: CN1C(=O)C(c2ccccc2)(c2cc(-c3cccnc3)cs2)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(NS(=O)(=O)c3cccs3)c2)N=C1N
• InChI: InChI=1S/C20H18N4O3S2.C19H16N4OS/c1-24-18(25)20(22-19(24)21,14-7-3-2-4-8-14)15-9-5-10-16(13-15)23-29(26,27)17-11-6-12-28-17;1-23-17(24)19(22-18(23)20,15-7-3-2-4-8-15)16-10-14(12-25-16)13-6-5-9-21-11-13/h2-13,23H,1H3,(H2,21,22);2-12H,1H3,(H2,20,22)
• InChIKey: JACIVRCNAWOGEV-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 176.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	774.95
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one?

The IUPAC name of N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one (CID 158856380) is N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one.

What is the SMILES notation for N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one?

The canonical SMILES for N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one is CN1C(=O)C(c2ccccc2)(c2cc(-c3cccnc3)cs2)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(NS(=O)(=O)c3cccs3)c2)N=C1N.

What is the InChIKey of N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one?

The InChIKey is JACIVRCNAWOGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S2.C19H16N4OS/c1-24-18(25)20(22-19(24)21,14-7-3-2-4-8-14)15-9-5-10-16(13-15)23-29(26,27)17-11-6-12-28-17;1-23-17(24)19(22-18(23)20,15-7-3-2-4-8-15)16-10-14(12-25-16)13-6-5-9-21-11-13/h2-13,23H,1H3,(H2,21,22);2-12H,1H3,(H2,20,22).

What are the key properties of N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one?

N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one has a molecular weight of 774.95 g/mol, XLogP of 5.42, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one is sourced from PubChem (CID 158856380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158856380 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.