(E)-3-[3-acetamido-4-[2-(diethylamino)ethylsulfanyl]phenyl]-N-hydroxyprop-2-enamide

C17H25N3O3S — CID 42613822

IUPAC(E)-3-[3-acetamido-4-[2-(diethylamino)ethylsulfanyl]phenyl]-N-hydroxyprop-2-enamide
SMILESCCN(CC)CCSc1ccc(/C=C/C(=O)NO)cc1NC(C)=O
InChIInChI=1S/C17H25N3O3S/c1-4-20(5-2)10-11-24-16-8-6-14(7-9-17(22)19-23)12-15(16)18-13(3)21/h6-9,12,23H,4-5,10-11H2,1-3H3,(H,18,21)(H,19,22)/b9-7+
InChIKeyVOFHIAHUBREBSZ-VQHVLOKHSA-N
MW351.47 g/mol
LogP2.60
Rot. Bonds9

About (E)-3-[3-acetamido-4-[2-(diethylamino)ethylsulfanyl]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[3-acetamido-4-[2-(diethylamino)ethylsulfanyl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 42613822) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is (E)-3-[3-acetamido-4-[2-(diethylamino)ethylsulfanyl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[3-acetamido-4-[2-(diethylamino)ethylsulfanyl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID42613822
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name(E)-3-[3-acetamido-4-[2-(diethylamino)ethylsulfanyl]phenyl]-N-hydroxyprop-2-enamide
SMILESCCN(CC)CCSc1ccc(/C=C/C(=O)NO)cc1NC(C)=O
InChIInChI=1S/C17H25N3O3S/c1-4-20(5-2)10-11-24-16-8-6-14(7-9-17(22)19-23)12-15(16)18-13(3)21/h6-9,12,23H,4-5,10-11H2,1-3H3,(H,18,21)(H,19,22)/b9-7+
InChIKeyVOFHIAHUBREBSZ-VQHVLOKHSA-N
XLogP2.60
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

Analyze (E)-3-[3-acetamido-4-[2-(diethylamino)ethylsulfanyl]phenyl]-N-hydroxyprop-2-enamide 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

3-[4-[2-(diethylamino)ethylsulfanyl]-3-(prop-2-enylamino)phenyl]-N-hydroxyprop-2-enamide
CID 90951227
(E)-3-[3-(butylcarbamothioylamino)-4-[2-(diethylamino)ethylsulfanyl]phenyl]-N-hydroxyprop-2-enamide
CID 72544182
(E)-3-[4-[2-(diethylamino)ethylsulfanyl]-3-(hexylcarbamothioylamino)phenyl]-N-hydroxyprop-2-enamide
CID 72544404
(E)-3-[4-[2-(diethylamino)ethylsulfanyl]-3-(2-oxo-2-thiophen-2-ylethyl)phenyl]-N-hydroxyprop-2-enamide
CID 58425805
methyl (E)-3-[3-amino-4-[2-(diethylamino)ethylsulfanyl]phenyl]prop-2-enoate
CID 67385624
(E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one
CID 143411738
(E)-3-[3-amino-4-[2-[butyl(ethyl)amino]ethyl-propylamino]phenyl]-N-hydroxyprop-2-enamide
CID 143424498
(E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide
CID 6433880
(E)-3-[4-[[ethyl(3-phenylpropyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 20579472
(E)-N-hydroxy-3-[4-[[methyl(propyl)amino]methyl]phenyl]prop-2-enamide
CID 20579481
N-hydroxy-3-(4-propanoylphenyl)prop-2-enamide
CID 141299879
N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide chloride
CID 71296942

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-acetamido-4-[2-(diethylamino)ethylsulfanyl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[3-acetamido-4-[2-(diethylamino)ethylsulfanyl]phenyl]-N-hydroxyprop-2-enamide (CID 42613822) is (E)-3-[3-acetamido-4-[2-(diethylamino)ethylsulfanyl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[3-acetamido-4-[2-(diethylamino)ethylsulfanyl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[3-acetamido-4-[2-(diethylamino)ethylsulfanyl]phenyl]-N-hydroxyprop-2-enamide is CCN(CC)CCSc1ccc(/C=C/C(=O)NO)cc1NC(C)=O.
What is the InChIKey of (E)-3-[3-acetamido-4-[2-(diethylamino)ethylsulfanyl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is VOFHIAHUBREBSZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-4-20(5-2)10-11-24-16-8-6-14(7-9-17(22)19-23)12-15(16)18-13(3)21/h6-9,12,23H,4-5,10-11H2,1-3H3,(H,18,21)(H,19,22)/b9-7+.
What are the key properties of (E)-3-[3-acetamido-4-[2-(diethylamino)ethylsulfanyl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[3-acetamido-4-[2-(diethylamino)ethylsulfanyl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 351.47 g/mol, XLogP of 2.60, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-acetamido-4-[2-(diethylamino)ethylsulfanyl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 42613822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).