N-hydroxy-3-[1-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]sulfonylpyrrol-3-yl]prop-2-enamide

C15H14N4O4S2 — CID 73214956

About N-hydroxy-3-[1-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]sulfonylpyrrol-3-yl]prop-2-enamide

N-hydroxy-3-[1-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]sulfonylpyrrol-3-yl]prop-2-enamide (PubChem CID 73214956) has the molecular formula C15H14N4O4S2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-hydroxy-3-[1-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]sulfonylpyrrol-3-yl]prop-2-enamide.

Molecular Properties

• Compound Name: N-hydroxy-3-[1-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]sulfonylpyrrol-3-yl]prop-2-enamide
• PubChem CID: 73214956
• Molecular Formula: C15H14N4O4S2
• Molecular Weight: 378.44 g/mol
• Exact Mass: 378.05
• IUPAC Name: N-hydroxy-3-[1-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]sulfonylpyrrol-3-yl]prop-2-enamide
• SMILES: Cn1cc(-c2ccc(S(=O)(=O)n3ccc(C=CC(=O)NO)c3)s2)cn1
• InChI: InChI=1S/C15H14N4O4S2/c1-18-10-12(8-16-18)13-3-5-15(24-13)25(22,23)19-7-6-11(9-19)2-4-14(20)17-21/h2-10,21H,1H3,(H,17,20)
• InChIKey: QKXQAQZKKZDGDO-UHFFFAOYSA-N
• XLogP: 1.71
• TPSA: 106.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.44
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]sulfonylpyrrol-3-yl]prop-2-enamide?

The IUPAC name of N-hydroxy-3-[1-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]sulfonylpyrrol-3-yl]prop-2-enamide (CID 73214956) is N-hydroxy-3-[1-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]sulfonylpyrrol-3-yl]prop-2-enamide.

What is the SMILES notation for N-hydroxy-3-[1-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]sulfonylpyrrol-3-yl]prop-2-enamide?

The canonical SMILES for N-hydroxy-3-[1-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]sulfonylpyrrol-3-yl]prop-2-enamide is Cn1cc(-c2ccc(S(=O)(=O)n3ccc(C=CC(=O)NO)c3)s2)cn1.

What is the InChIKey of N-hydroxy-3-[1-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]sulfonylpyrrol-3-yl]prop-2-enamide?

The InChIKey is QKXQAQZKKZDGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4S2/c1-18-10-12(8-16-18)13-3-5-15(24-13)25(22,23)19-7-6-11(9-19)2-4-14(20)17-21/h2-10,21H,1H3,(H,17,20).

What are the key properties of N-hydroxy-3-[1-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]sulfonylpyrrol-3-yl]prop-2-enamide?

N-hydroxy-3-[1-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]sulfonylpyrrol-3-yl]prop-2-enamide has a molecular weight of 378.44 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-3-[1-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]sulfonylpyrrol-3-yl]prop-2-enamide is sourced from PubChem (CID 73214956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).