5-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide;2,2,2-trifluoroacetic acid

C26H31Cl2F3N4O5S — CID 11541926

About 5-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide;2,2,2-trifluoroacetic acid

5-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide;2,2,2-trifluoroacetic acid (PubChem CID 11541926) has the molecular formula C26H31Cl2F3N4O5S and a molecular weight of 639.52 g/mol. Its IUPAC name is 5-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 5-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide;2,2,2-trifluoroacetic acid
• PubChem CID: 11541926
• Molecular Formula: C26H31Cl2F3N4O5S
• Molecular Weight: 639.52 g/mol
• Exact Mass: 638.13
• IUPAC Name: 5-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide;2,2,2-trifluoroacetic acid
• SMILES: Cc1c(Cl)ccc(S(=O)(=O)N(C)CCCCC(=O)N(C)Cc2ccc(C3=NCCN3)cc2)c1Cl.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H30Cl2N4O3S.C2HF3O2/c1-17-20(25)11-12-21(23(17)26)34(32,33)30(3)15-5-4-6-22(31)29(2)16-18-7-9-19(10-8-18)24-27-13-14-28-24;3-2(4,5)1(6)7/h7-12H,4-6,13-16H2,1-3H3,(H,27,28);(H,6,7)
• InChIKey: GYSBNISILNHCAQ-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 119.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	639.52
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 5-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide;2,2,2-trifluoroacetic acid (CID 11541926) is 5-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 5-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 5-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide;2,2,2-trifluoroacetic acid is Cc1c(Cl)ccc(S(=O)(=O)N(C)CCCCC(=O)N(C)Cc2ccc(C3=NCCN3)cc2)c1Cl.O=C(O)C(F)(F)F.

What is the InChIKey of 5-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide;2,2,2-trifluoroacetic acid?

The InChIKey is GYSBNISILNHCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N4O3S.C2HF3O2/c1-17-20(25)11-12-21(23(17)26)34(32,33)30(3)15-5-4-6-22(31)29(2)16-18-7-9-19(10-8-18)24-27-13-14-28-24;3-2(4,5)1(6)7/h7-12H,4-6,13-16H2,1-3H3,(H,27,28);(H,6,7).

What are the key properties of 5-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide;2,2,2-trifluoroacetic acid?

5-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide;2,2,2-trifluoroacetic acid has a molecular weight of 639.52 g/mol, XLogP of 4.73, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpentanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 11541926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).