(E)-N-hydroxy-3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazol-5-yl]prop-2-enamide

C20H20N4O4S2 — CID 11374190

IUPAC(E)-N-hydroxy-3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazol-5-yl]prop-2-enamide
SMILESO=C(/C=C/c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)s1)NO
InChIInChI=1S/C20H20N4O4S2/c25-19(22-26)8-6-17-14-21-20(29-17)23-9-11-24(12-10-23)30(27,28)18-7-5-15-3-1-2-4-16(15)13-18/h1-8,13-14,26H,9-12H2,(H,22,25)/b8-6+
InChIKeySAIBMQAHQLFEON-SOFGYWHQSA-N
MW444.54 g/mol
LogP2.33
Rot. Bonds5

About (E)-N-hydroxy-3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazol-5-yl]prop-2-enamide

(E)-N-hydroxy-3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazol-5-yl]prop-2-enamide (PubChem CID 11374190) has the molecular formula C20H20N4O4S2 and a molecular weight of 444.54 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazol-5-yl]prop-2-enamide
PubChem CID11374190
Molecular FormulaC20H20N4O4S2
Molecular Weight444.54 g/mol
Exact Mass444.09
IUPAC Name(E)-N-hydroxy-3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazol-5-yl]prop-2-enamide
SMILESO=C(/C=C/c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)s1)NO
InChIInChI=1S/C20H20N4O4S2/c25-19(22-26)8-6-17-14-21-20(29-17)23-9-11-24(12-10-23)30(27,28)18-7-5-15-3-1-2-4-16(15)13-18/h1-8,13-14,26H,9-12H2,(H,22,25)/b8-6+
InChIKeySAIBMQAHQLFEON-SOFGYWHQSA-N
XLogP2.33
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 (E)-N-hydroxy-3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazol-5-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazol-5-yl]prop-2-enamide (CID 11374190) is (E)-N-hydroxy-3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazol-5-yl]prop-2-enamide is O=C(/C=C/c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)s1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazol-5-yl]prop-2-enamide?
The InChIKey is SAIBMQAHQLFEON-SOFGYWHQSA-N. The full InChI is InChI=1S/C20H20N4O4S2/c25-19(22-26)8-6-17-14-21-20(29-17)23-9-11-24(12-10-23)30(27,28)18-7-5-15-3-1-2-4-16(15)13-18/h1-8,13-14,26H,9-12H2,(H,22,25)/b8-6+.
What are the key properties of (E)-N-hydroxy-3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazol-5-yl]prop-2-enamide?
(E)-N-hydroxy-3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazol-5-yl]prop-2-enamide has a molecular weight of 444.54 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazol-5-yl]prop-2-enamide is sourced from PubChem (CID 11374190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).