N-hydroxy-2-(2-hydroxyethylsulfanyl)-4-oxo-4-(4-phenylphenyl)butanamide

C18H19NO4S — CID 141066195

IUPACN-hydroxy-2-(2-hydroxyethylsulfanyl)-4-oxo-4-(4-phenylphenyl)butanamide
SMILESO=C(CC(SCCO)C(=O)NO)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19NO4S/c20-10-11-24-17(18(22)19-23)12-16(21)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,17,20,23H,10-12H2,(H,19,22)
InChIKeyYBXGTKIJHHQBKT-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.53
Rot. Bonds8

About N-hydroxy-2-(2-hydroxyethylsulfanyl)-4-oxo-4-(4-phenylphenyl)butanamide

N-hydroxy-2-(2-hydroxyethylsulfanyl)-4-oxo-4-(4-phenylphenyl)butanamide (PubChem CID 141066195) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-hydroxy-2-(2-hydroxyethylsulfanyl)-4-oxo-4-(4-phenylphenyl)butanamide.

Molecular Properties

Compound NameN-hydroxy-2-(2-hydroxyethylsulfanyl)-4-oxo-4-(4-phenylphenyl)butanamide
PubChem CID141066195
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC NameN-hydroxy-2-(2-hydroxyethylsulfanyl)-4-oxo-4-(4-phenylphenyl)butanamide
SMILESO=C(CC(SCCO)C(=O)NO)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19NO4S/c20-10-11-24-17(18(22)19-23)12-16(21)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,17,20,23H,10-12H2,(H,19,22)
InChIKeyYBXGTKIJHHQBKT-UHFFFAOYSA-N
XLogP2.53
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

3-methyl-5-oxo-5-[4-(4-phenylphenyl)phenyl]pentanoic acid
CID 23276830
(3R)-1,3-diphenyl-3-(4-phenylphenyl)propan-1-one
CID 86338470
3-amino-4-methyl-1-(4-phenylphenyl)pentan-1-one
CID 116606231
N-[2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-4-phenylbenzamide
CID 59697016
N-[(3R,4R)-4-hydroxy-1-(hydroxyamino)-1-oxopentan-3-yl]-4-phenylbenzamide
CID 87199529
(3S)-3-hydroxy-1-phenyl-3-(4-phenylphenyl)propan-1-one
CID 102595151
methyl 4-oxo-4-(4-phenylphenyl)butanoate
CID 527312
[2-oxo-2-(4-phenylphenyl)ethyl] thiocyanate
CID 13180596
methyl 4-oxo-4-[4-(4-phenylphenyl)phenyl]butanoate
CID 10871655
1-cyclopropyl-3-(4-phenylphenyl)propane-1,3-dione
CID 63318739
2-[2-[[(2S)-1-anilino-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-oxo-4-(4-phenylphenyl)butanoic acid
CID 10139307
2-pentylsulfanyl-1-(4-phenylphenyl)ethanone
CID 129028325

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(2-hydroxyethylsulfanyl)-4-oxo-4-(4-phenylphenyl)butanamide?
The IUPAC name of N-hydroxy-2-(2-hydroxyethylsulfanyl)-4-oxo-4-(4-phenylphenyl)butanamide (CID 141066195) is N-hydroxy-2-(2-hydroxyethylsulfanyl)-4-oxo-4-(4-phenylphenyl)butanamide.
What is the SMILES notation for N-hydroxy-2-(2-hydroxyethylsulfanyl)-4-oxo-4-(4-phenylphenyl)butanamide?
The canonical SMILES for N-hydroxy-2-(2-hydroxyethylsulfanyl)-4-oxo-4-(4-phenylphenyl)butanamide is O=C(CC(SCCO)C(=O)NO)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-hydroxy-2-(2-hydroxyethylsulfanyl)-4-oxo-4-(4-phenylphenyl)butanamide?
The InChIKey is YBXGTKIJHHQBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c20-10-11-24-17(18(22)19-23)12-16(21)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,17,20,23H,10-12H2,(H,19,22).
What are the key properties of N-hydroxy-2-(2-hydroxyethylsulfanyl)-4-oxo-4-(4-phenylphenyl)butanamide?
N-hydroxy-2-(2-hydroxyethylsulfanyl)-4-oxo-4-(4-phenylphenyl)butanamide has a molecular weight of 345.42 g/mol, XLogP of 2.53, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(2-hydroxyethylsulfanyl)-4-oxo-4-(4-phenylphenyl)butanamide is sourced from PubChem (CID 141066195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).