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

C15H14N4O4S2 — CID 73214956

IUPACN-hydroxy-3-[1-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]sulfonylpyrrol-3-yl]prop-2-enamide
SMILESCn1cc(-c2ccc(S(=O)(=O)n3ccc(C=CC(=O)NO)c3)s2)cn1
InChIInChI=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)
InChIKeyQKXQAQZKKZDGDO-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.71
Rot. Bonds5

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 NameN-hydroxy-3-[1-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]sulfonylpyrrol-3-yl]prop-2-enamide
PubChem CID73214956
Molecular FormulaC15H14N4O4S2
Molecular Weight378.44 g/mol
Exact Mass378.05
IUPAC NameN-hydroxy-3-[1-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]sulfonylpyrrol-3-yl]prop-2-enamide
SMILESCn1cc(-c2ccc(S(=O)(=O)n3ccc(C=CC(=O)NO)c3)s2)cn1
InChIInChI=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)
InChIKeyQKXQAQZKKZDGDO-UHFFFAOYSA-N
XLogP1.71
TPSA106.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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'}

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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).