(E)-N-hydroxy-2-phenyl-3-thiophen-2-ylprop-2-enamide

C13H11NO2S — CID 11379581

IUPAC(E)-N-hydroxy-2-phenyl-3-thiophen-2-ylprop-2-enamide
SMILESO=C(NO)/C(=C/c1cccs1)c1ccccc1
InChIInChI=1S/C13H11NO2S/c15-13(14-16)12(9-11-7-4-8-17-11)10-5-2-1-3-6-10/h1-9,16H,(H,14,15)/b12-9+
InChIKeyHLIPGXQBTMJDPC-FMIVXFBMSA-N
MW245.30 g/mol
LogP2.79
Rot. Bonds3

About (E)-N-hydroxy-2-phenyl-3-thiophen-2-ylprop-2-enamide

(E)-N-hydroxy-2-phenyl-3-thiophen-2-ylprop-2-enamide (PubChem CID 11379581) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is (E)-N-hydroxy-2-phenyl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-2-phenyl-3-thiophen-2-ylprop-2-enamide
PubChem CID11379581
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC Name(E)-N-hydroxy-2-phenyl-3-thiophen-2-ylprop-2-enamide
SMILESO=C(NO)/C(=C/c1cccs1)c1ccccc1
InChIInChI=1S/C13H11NO2S/c15-13(14-16)12(9-11-7-4-8-17-11)10-5-2-1-3-6-10/h1-9,16H,(H,14,15)/b12-9+
InChIKeyHLIPGXQBTMJDPC-FMIVXFBMSA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

methyl 2-phenyl-3-thiophen-2-ylprop-2-enoate
CID 2764285
(E)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenyl-3-thiophen-2-ylprop-2-enamide
CID 6346464
N-[(E)-3-[3-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]amino]propylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 139228872
(E)-2-(4-bromophenyl)-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide
CID 21093978
(E)-2-phenyl-3-thiophen-2-ylprop-2-enal
CID 10584747
N-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)-3-thiophen-2-ylprop-2-enamide
CID 87417205
N-(3-anilino-3-oxo-1-thiophen-2-ylprop-1-en-2-yl)benzamide
CID 783464
2-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enoic acid
CID 68625793
2-(thiophen-2-ylmethylidene)propanedioic acid
CID 4714957
(Z)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enoate
CID 2376836
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-2-phenyl-3-thiophen-2-ylprop-2-enehydrazide
CID 1485137
N-[3-[2-[2-[(2-benzamido-3-thiophen-2-ylprop-2-enoyl)hydrazinylidene]ethylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 3093250

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-2-phenyl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-hydroxy-2-phenyl-3-thiophen-2-ylprop-2-enamide (CID 11379581) is (E)-N-hydroxy-2-phenyl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-2-phenyl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-2-phenyl-3-thiophen-2-ylprop-2-enamide is O=C(NO)/C(=C/c1cccs1)c1ccccc1.
What is the InChIKey of (E)-N-hydroxy-2-phenyl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is HLIPGXQBTMJDPC-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H11NO2S/c15-13(14-16)12(9-11-7-4-8-17-11)10-5-2-1-3-6-10/h1-9,16H,(H,14,15)/b12-9+.
What are the key properties of (E)-N-hydroxy-2-phenyl-3-thiophen-2-ylprop-2-enamide?
(E)-N-hydroxy-2-phenyl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 245.30 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-2-phenyl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 11379581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).