3-[(4-acetylphenyl)sulfonylamino]-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide

C24H28N4O4S — CID 55858825

About 3-[(4-acetylphenyl)sulfonylamino]-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide

3-[(4-acetylphenyl)sulfonylamino]-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide (PubChem CID 55858825) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is 3-[(4-acetylphenyl)sulfonylamino]-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide.

Molecular Properties

• Compound Name: 3-[(4-acetylphenyl)sulfonylamino]-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide
• PubChem CID: 55858825
• Molecular Formula: C24H28N4O4S
• Molecular Weight: 468.58 g/mol
• Exact Mass: 468.18
• IUPAC Name: 3-[(4-acetylphenyl)sulfonylamino]-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide
• SMILES: CC(=O)c1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)cc1
• InChI: InChI=1S/C24H28N4O4S/c1-17(2)24-25-13-14-28(24)16-19-5-4-6-21(15-19)27-23(30)11-12-26-33(31,32)22-9-7-20(8-10-22)18(3)29/h4-10,13-15,17,26H,11-12,16H2,1-3H3,(H,27,30)
• InChIKey: WFJOHMXNQPPYDA-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 110.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.58
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetylphenyl)sulfonylamino]-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide?

The IUPAC name of 3-[(4-acetylphenyl)sulfonylamino]-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide (CID 55858825) is 3-[(4-acetylphenyl)sulfonylamino]-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide.

What is the SMILES notation for 3-[(4-acetylphenyl)sulfonylamino]-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide?

The canonical SMILES for 3-[(4-acetylphenyl)sulfonylamino]-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide is CC(=O)c1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)cc1.

What is the InChIKey of 3-[(4-acetylphenyl)sulfonylamino]-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide?

The InChIKey is WFJOHMXNQPPYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-17(2)24-25-13-14-28(24)16-19-5-4-6-21(15-19)27-23(30)11-12-26-33(31,32)22-9-7-20(8-10-22)18(3)29/h4-10,13-15,17,26H,11-12,16H2,1-3H3,(H,27,30).

What are the key properties of 3-[(4-acetylphenyl)sulfonylamino]-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide?

3-[(4-acetylphenyl)sulfonylamino]-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide has a molecular weight of 468.58 g/mol, XLogP of 3.56, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-acetylphenyl)sulfonylamino]-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide is sourced from PubChem (CID 55858825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).