N-hydroxy-3-[1-[4-[3-(2-morpholin-4-ylethyl)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide

C25H27N3O5S — CID 73215108

About N-hydroxy-3-[1-[4-[3-(2-morpholin-4-ylethyl)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide

N-hydroxy-3-[1-[4-[3-(2-morpholin-4-ylethyl)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide (PubChem CID 73215108) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is N-hydroxy-3-[1-[4-[3-(2-morpholin-4-ylethyl)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide.

Molecular Properties

• Compound Name: N-hydroxy-3-[1-[4-[3-(2-morpholin-4-ylethyl)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
• PubChem CID: 73215108
• Molecular Formula: C25H27N3O5S
• Molecular Weight: 481.57 g/mol
• Exact Mass: 481.17
• IUPAC Name: N-hydroxy-3-[1-[4-[3-(2-morpholin-4-ylethyl)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
• SMILES: O=C(C=Cc1ccn(S(=O)(=O)c2ccc(-c3cccc(CCN4CCOCC4)c3)cc2)c1)NO
• InChI: InChI=1S/C25H27N3O5S/c29-25(26-30)9-4-21-11-13-28(19-21)34(31,32)24-7-5-22(6-8-24)23-3-1-2-20(18-23)10-12-27-14-16-33-17-15-27/h1-9,11,13,18-19,30H,10,12,14-17H2,(H,26,29)
• InChIKey: ZZILWFMTDDGPFP-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 100.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.57
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[1-[4-[3-(2-morpholin-4-ylethyl)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide?

The IUPAC name of N-hydroxy-3-[1-[4-[3-(2-morpholin-4-ylethyl)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide (CID 73215108) is N-hydroxy-3-[1-[4-[3-(2-morpholin-4-ylethyl)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide.

What is the SMILES notation for N-hydroxy-3-[1-[4-[3-(2-morpholin-4-ylethyl)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide?

The canonical SMILES for N-hydroxy-3-[1-[4-[3-(2-morpholin-4-ylethyl)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide is O=C(C=Cc1ccn(S(=O)(=O)c2ccc(-c3cccc(CCN4CCOCC4)c3)cc2)c1)NO.

What is the InChIKey of N-hydroxy-3-[1-[4-[3-(2-morpholin-4-ylethyl)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide?

The InChIKey is ZZILWFMTDDGPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c29-25(26-30)9-4-21-11-13-28(19-21)34(31,32)24-7-5-22(6-8-24)23-3-1-2-20(18-23)10-12-27-14-16-33-17-15-27/h1-9,11,13,18-19,30H,10,12,14-17H2,(H,26,29).

What are the key properties of N-hydroxy-3-[1-[4-[3-(2-morpholin-4-ylethyl)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide?

N-hydroxy-3-[1-[4-[3-(2-morpholin-4-ylethyl)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide has a molecular weight of 481.57 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-3-[1-[4-[3-(2-morpholin-4-ylethyl)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide is sourced from PubChem (CID 73215108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).