(E)-N-hydroxy-3-[3-methyl-4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]prop-2-enamide

C17H15NO3S — CID 11652550

IUPAC(E)-N-hydroxy-3-[3-methyl-4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]prop-2-enamide
SMILESCc1cc(/C=C/C(=O)NO)ccc1/C=C/C(=O)c1cccs1
InChIInChI=1S/C17H15NO3S/c1-12-11-13(5-9-17(20)18-21)4-6-14(12)7-8-15(19)16-3-2-10-22-16/h2-11,21H,1H3,(H,18,20)/b8-7+,9-5+
InChIKeyGTDDZSCJWDGGCD-DMQCZMPNSA-N
MW313.38 g/mol
LogP3.47
Rot. Bonds5

About (E)-N-hydroxy-3-[3-methyl-4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[3-methyl-4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]prop-2-enamide (PubChem CID 11652550) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[3-methyl-4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[3-methyl-4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]prop-2-enamide
PubChem CID11652550
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name(E)-N-hydroxy-3-[3-methyl-4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]prop-2-enamide
SMILESCc1cc(/C=C/C(=O)NO)ccc1/C=C/C(=O)c1cccs1
InChIInChI=1S/C17H15NO3S/c1-12-11-13(5-9-17(20)18-21)4-6-14(12)7-8-15(19)16-3-2-10-22-16/h2-11,21H,1H3,(H,18,20)/b8-7+,9-5+
InChIKeyGTDDZSCJWDGGCD-DMQCZMPNSA-N
XLogP3.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-[3-chloro-4-(3-oxo-3-thiophen-2-ylprop-1-enyl)phenyl]-N-hydroxyprop-2-enamide
CID 73038212
3-[4-(3-oxo-3-thiophen-2-ylprop-1-enyl)phenyl]-1-thiophen-2-ylprop-2-en-1-one
CID 71356375
3-(4-hydroxy-3,5-dimethylphenyl)-1-thiophen-2-ylprop-2-en-1-one
CID 54355288
(E)-3-(4-hydroxy-3,5-dimethylphenyl)-1-thiophen-2-ylprop-2-en-1-one
CID 14771932
(E)-3-(2-methylphenyl)-1-thiophen-2-ylprop-2-en-1-one
CID 19544633
N'-[3-(4-methylphenyl)prop-2-enoyl]thiophene-2-carbohydrazide
CID 917715
(E)-N-hydroxy-3-[3-methyl-4-[(E)-3-(4-methylphenyl)-3-phosphanylideneprop-1-enyl]phenyl]prop-2-enamide
CID 143209580
1-thiophen-2-yl-3-(2,4,6-trimethylphenyl)prop-2-en-1-one
CID 2826869
N-hydroxy-3-[2-(thiophene-2-carbonyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide
CID 74373668
(E)-3-(4-chloro-2-methylphenyl)-N-hydroxyprop-2-enamide
CID 24860349
N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]thiophene-2-carbohydrazide
CID 9479090
(E)-3-(2-hydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one
CID 5387158

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[3-methyl-4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[3-methyl-4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]prop-2-enamide (CID 11652550) is (E)-N-hydroxy-3-[3-methyl-4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[3-methyl-4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[3-methyl-4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]prop-2-enamide is Cc1cc(/C=C/C(=O)NO)ccc1/C=C/C(=O)c1cccs1.
What is the InChIKey of (E)-N-hydroxy-3-[3-methyl-4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]prop-2-enamide?
The InChIKey is GTDDZSCJWDGGCD-DMQCZMPNSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-12-11-13(5-9-17(20)18-21)4-6-14(12)7-8-15(19)16-3-2-10-22-16/h2-11,21H,1H3,(H,18,20)/b8-7+,9-5+.
What are the key properties of (E)-N-hydroxy-3-[3-methyl-4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[3-methyl-4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]prop-2-enamide has a molecular weight of 313.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[3-methyl-4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]prop-2-enamide is sourced from PubChem (CID 11652550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).