N-hydroxy-4-[1-[[2-(2-methylsulfanylphenyl)acetyl]amino]ethyl]benzamide

C18H20N2O3S — CID 123886704

IUPACN-hydroxy-4-[1-[[2-(2-methylsulfanylphenyl)acetyl]amino]ethyl]benzamide
SMILESCSc1ccccc1CC(=O)NC(C)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C18H20N2O3S/c1-12(13-7-9-14(10-8-13)18(22)20-23)19-17(21)11-15-5-3-4-6-16(15)24-2/h3-10,12,23H,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyKCALVGZZZGAEKW-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.95
Rot. Bonds6

About N-hydroxy-4-[1-[[2-(2-methylsulfanylphenyl)acetyl]amino]ethyl]benzamide

N-hydroxy-4-[1-[[2-(2-methylsulfanylphenyl)acetyl]amino]ethyl]benzamide (PubChem CID 123886704) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-hydroxy-4-[1-[[2-(2-methylsulfanylphenyl)acetyl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[1-[[2-(2-methylsulfanylphenyl)acetyl]amino]ethyl]benzamide
PubChem CID123886704
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-hydroxy-4-[1-[[2-(2-methylsulfanylphenyl)acetyl]amino]ethyl]benzamide
SMILESCSc1ccccc1CC(=O)NC(C)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C18H20N2O3S/c1-12(13-7-9-14(10-8-13)18(22)20-23)19-17(21)11-15-5-3-4-6-16(15)24-2/h3-10,12,23H,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyKCALVGZZZGAEKW-UHFFFAOYSA-N
XLogP2.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.95
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'}

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Related Compounds

4-[1-[(2-fluorophenyl)carbamoylamino]ethyl]-N-hydroxybenzamide
CID 58417486
N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78916745
N-[1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 47106591
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 7733439
N-hydroxy-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 58417539
2-naphthalen-1-yl-N-[(1S)-1-phenylethyl]acetamide
CID 1225206
2-(2-aminophenyl)-N-[1-(4-bromophenyl)ethyl]acetamide
CID 61118326
2-naphthalen-1-yl-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 7948833
N-hydroxy-4-[2-methyl-1-(1-phenylethylcarbamoylamino)propyl]benzamide
CID 76779917
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
2-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 61102579
2-(2-fluorophenyl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 7936631

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[1-[[2-(2-methylsulfanylphenyl)acetyl]amino]ethyl]benzamide?
The IUPAC name of N-hydroxy-4-[1-[[2-(2-methylsulfanylphenyl)acetyl]amino]ethyl]benzamide (CID 123886704) is N-hydroxy-4-[1-[[2-(2-methylsulfanylphenyl)acetyl]amino]ethyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[1-[[2-(2-methylsulfanylphenyl)acetyl]amino]ethyl]benzamide?
The canonical SMILES for N-hydroxy-4-[1-[[2-(2-methylsulfanylphenyl)acetyl]amino]ethyl]benzamide is CSc1ccccc1CC(=O)NC(C)c1ccc(C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-4-[1-[[2-(2-methylsulfanylphenyl)acetyl]amino]ethyl]benzamide?
The InChIKey is KCALVGZZZGAEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-12(13-7-9-14(10-8-13)18(22)20-23)19-17(21)11-15-5-3-4-6-16(15)24-2/h3-10,12,23H,11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-hydroxy-4-[1-[[2-(2-methylsulfanylphenyl)acetyl]amino]ethyl]benzamide?
N-hydroxy-4-[1-[[2-(2-methylsulfanylphenyl)acetyl]amino]ethyl]benzamide has a molecular weight of 344.44 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[1-[[2-(2-methylsulfanylphenyl)acetyl]amino]ethyl]benzamide is sourced from PubChem (CID 123886704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).