2-(4-acetamidophenyl)sulfinyl-N-hydroxy-3-phenylpropanamide

C17H18N2O4S — CID 18416747

IUPAC2-(4-acetamidophenyl)sulfinyl-N-hydroxy-3-phenylpropanamide
SMILESCC(=O)Nc1ccc(S(=O)C(Cc2ccccc2)C(=O)NO)cc1
InChIInChI=1S/C17H18N2O4S/c1-12(20)18-14-7-9-15(10-8-14)24(23)16(17(21)19-22)11-13-5-3-2-4-6-13/h2-10,16,22H,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyLPYLDWZGZSUVFC-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.87
Rot. Bonds6

About 2-(4-acetamidophenyl)sulfinyl-N-hydroxy-3-phenylpropanamide

2-(4-acetamidophenyl)sulfinyl-N-hydroxy-3-phenylpropanamide (PubChem CID 18416747) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfinyl-N-hydroxy-3-phenylpropanamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfinyl-N-hydroxy-3-phenylpropanamide
PubChem CID18416747
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name2-(4-acetamidophenyl)sulfinyl-N-hydroxy-3-phenylpropanamide
SMILESCC(=O)Nc1ccc(S(=O)C(Cc2ccccc2)C(=O)NO)cc1
InChIInChI=1S/C17H18N2O4S/c1-12(20)18-14-7-9-15(10-8-14)24(23)16(17(21)19-22)11-13-5-3-2-4-6-13/h2-10,16,22H,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyLPYLDWZGZSUVFC-UHFFFAOYSA-N
XLogP1.87
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-acetamidophenyl)sulfinyl-N-hydroxy-3-phenylpropanamide 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-[4-(2-amino-2-phenylethyl)phenyl]acetamide
CID 62719671
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoic acid
CID 983566
N-(4-acetamidophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 46361169
(2S)-N-(4-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 793554
N-[4-[2-(dimethylamino)-3-phenylpropanoyl]phenyl]acetamide
CID 4534125
[(2S)-1-(4-acetamidophenyl)-1-oxo-3-phenylpropan-2-yl]-dimethylazanium
CID 2398171
(2R)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide
CID 40931965
2-benzyl-N-hydroxy-3-(4-methoxyphenyl)sulfinylpropanamide
CID 21224383
(2R)-2-acetamido-N-(4-acetylphenyl)-3-phenylpropanamide
CID 59916110
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide
CID 14837119
methyl (2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoate
CID 40521531

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfinyl-N-hydroxy-3-phenylpropanamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfinyl-N-hydroxy-3-phenylpropanamide (CID 18416747) is 2-(4-acetamidophenyl)sulfinyl-N-hydroxy-3-phenylpropanamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfinyl-N-hydroxy-3-phenylpropanamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfinyl-N-hydroxy-3-phenylpropanamide is CC(=O)Nc1ccc(S(=O)C(Cc2ccccc2)C(=O)NO)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfinyl-N-hydroxy-3-phenylpropanamide?
The InChIKey is LPYLDWZGZSUVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-12(20)18-14-7-9-15(10-8-14)24(23)16(17(21)19-22)11-13-5-3-2-4-6-13/h2-10,16,22H,11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-(4-acetamidophenyl)sulfinyl-N-hydroxy-3-phenylpropanamide?
2-(4-acetamidophenyl)sulfinyl-N-hydroxy-3-phenylpropanamide has a molecular weight of 346.41 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfinyl-N-hydroxy-3-phenylpropanamide is sourced from PubChem (CID 18416747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).