N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide

C26H24N4O2S — CID 42827290

About N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide

N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide (PubChem CID 42827290) has the molecular formula C26H24N4O2S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide
• PubChem CID: 42827290
• Molecular Formula: C26H24N4O2S
• Molecular Weight: 456.57 g/mol
• Exact Mass: 456.16
• IUPAC Name: N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide
• SMILES: C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1cccc(C)c1)C(=O)c1cccs1
• InChI: InChI=1S/C26H24N4O2S/c1-3-14-29(25(32)23-13-8-15-33-23)18-24(31)28-26-27-22(20-10-5-4-6-11-20)17-30(26)21-12-7-9-19(2)16-21/h3-13,15-17H,1,14,18H2,2H3,(H,27,28,31)
• InChIKey: OAGWRJICQIKSOP-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.57
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide?

The IUPAC name of N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide (CID 42827290) is N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide.

What is the SMILES notation for N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide?

The canonical SMILES for N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide is C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1cccc(C)c1)C(=O)c1cccs1.

What is the InChIKey of N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide?

The InChIKey is OAGWRJICQIKSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2S/c1-3-14-29(25(32)23-13-8-15-33-23)18-24(31)28-26-27-22(20-10-5-4-6-11-20)17-30(26)21-12-7-9-19(2)16-21/h3-13,15-17H,1,14,18H2,2H3,(H,27,28,31).

What are the key properties of N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide?

N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide has a molecular weight of 456.57 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 42827290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).