4-[2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]ethoxy]-N-hydroxybenzamide

C16H15BrN2O4S — CID 87108893

IUPAC4-[2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]ethoxy]-N-hydroxybenzamide
SMILESO=C(/C=C/c1ccc(Br)s1)NCCOc1ccc(C(=O)NO)cc1
InChIInChI=1S/C16H15BrN2O4S/c17-14-7-5-13(24-14)6-8-15(20)18-9-10-23-12-3-1-11(2-4-12)16(21)19-22/h1-8,22H,9-10H2,(H,18,20)(H,19,21)/b8-6+
InChIKeyPTKSTRZNKHJPAB-SOFGYWHQSA-N
MW411.28 g/mol
LogP2.84
Rot. Bonds7

About 4-[2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]ethoxy]-N-hydroxybenzamide

4-[2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]ethoxy]-N-hydroxybenzamide (PubChem CID 87108893) has the molecular formula C16H15BrN2O4S and a molecular weight of 411.28 g/mol. Its IUPAC name is 4-[2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]ethoxy]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]ethoxy]-N-hydroxybenzamide
PubChem CID87108893
Molecular FormulaC16H15BrN2O4S
Molecular Weight411.28 g/mol
Exact Mass409.99
IUPAC Name4-[2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]ethoxy]-N-hydroxybenzamide
SMILESO=C(/C=C/c1ccc(Br)s1)NCCOc1ccc(C(=O)NO)cc1
InChIInChI=1S/C16H15BrN2O4S/c17-14-7-5-13(24-14)6-8-15(20)18-9-10-23-12-3-1-11(2-4-12)16(21)19-22/h1-8,22H,9-10H2,(H,18,20)(H,19,21)/b8-6+
InChIKeyPTKSTRZNKHJPAB-SOFGYWHQSA-N
XLogP2.84
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.28
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]ethoxy]-N-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-4-ethoxybenzohydrazide
CID 9480421
(E)-N-[2-(4-ethoxyphenoxy)ethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 9022616
2-[4-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]phenoxy]acetic acid
CID 9447749
N-hydroxy-4-[2-(methylamino)ethoxy]benzamide
CID 87613285
(E)-3-(furan-3-yl)-N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]prop-2-enamide
CID 87642239
(E)-3-(5-chlorothiophen-2-yl)-N-[2-(3-methylphenoxy)ethyl]prop-2-enamide
CID 18206351
(E)-N-(2-bromoprop-2-enyl)-3-(5-bromothiophen-2-yl)prop-2-enamide
CID 47439352
N-(4-bromophenyl)-3-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]propanamide
CID 55977690
N-[3-(azepan-1-yl)propyl]-3-(5-bromothiophen-2-yl)prop-2-enamide
CID 76858426
(E)-3-(5-bromothiophen-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)prop-2-enamide
CID 102914567
methyl 4-[(E)-3-oxo-3-(2-phenoxyethylamino)prop-1-enyl]benzoate
CID 26903189
(E)-N-[2-(3-bromophenoxy)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 47330638

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]ethoxy]-N-hydroxybenzamide?
The IUPAC name of 4-[2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]ethoxy]-N-hydroxybenzamide (CID 87108893) is 4-[2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]ethoxy]-N-hydroxybenzamide.
What is the SMILES notation for 4-[2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]ethoxy]-N-hydroxybenzamide?
The canonical SMILES for 4-[2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]ethoxy]-N-hydroxybenzamide is O=C(/C=C/c1ccc(Br)s1)NCCOc1ccc(C(=O)NO)cc1.
What is the InChIKey of 4-[2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]ethoxy]-N-hydroxybenzamide?
The InChIKey is PTKSTRZNKHJPAB-SOFGYWHQSA-N. The full InChI is InChI=1S/C16H15BrN2O4S/c17-14-7-5-13(24-14)6-8-15(20)18-9-10-23-12-3-1-11(2-4-12)16(21)19-22/h1-8,22H,9-10H2,(H,18,20)(H,19,21)/b8-6+.
What are the key properties of 4-[2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]ethoxy]-N-hydroxybenzamide?
4-[2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]ethoxy]-N-hydroxybenzamide has a molecular weight of 411.28 g/mol, XLogP of 2.84, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]ethoxy]-N-hydroxybenzamide is sourced from PubChem (CID 87108893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).