N-(4-hydroxy-2-iodophenyl)-2-(4-methylsulfanylphenoxy)propanamide

C16H16INO3S — CID 119035409

IUPACN-(4-hydroxy-2-iodophenyl)-2-(4-methylsulfanylphenoxy)propanamide
SMILESCSc1ccc(OC(C)C(=O)Nc2ccc(O)cc2I)cc1
InChIInChI=1S/C16H16INO3S/c1-10(21-12-4-6-13(22-2)7-5-12)16(20)18-15-8-3-11(19)9-14(15)17/h3-10,19H,1-2H3,(H,18,20)
InChIKeyAQLYTMNCAGXIEG-UHFFFAOYSA-N
MW429.28 g/mol
LogP4.12
Rot. Bonds5

About N-(4-hydroxy-2-iodophenyl)-2-(4-methylsulfanylphenoxy)propanamide

N-(4-hydroxy-2-iodophenyl)-2-(4-methylsulfanylphenoxy)propanamide (PubChem CID 119035409) has the molecular formula C16H16INO3S and a molecular weight of 429.28 g/mol. Its IUPAC name is N-(4-hydroxy-2-iodophenyl)-2-(4-methylsulfanylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-iodophenyl)-2-(4-methylsulfanylphenoxy)propanamide
PubChem CID119035409
Molecular FormulaC16H16INO3S
Molecular Weight429.28 g/mol
Exact Mass428.99
IUPAC NameN-(4-hydroxy-2-iodophenyl)-2-(4-methylsulfanylphenoxy)propanamide
SMILESCSc1ccc(OC(C)C(=O)Nc2ccc(O)cc2I)cc1
InChIInChI=1S/C16H16INO3S/c1-10(21-12-4-6-13(22-2)7-5-12)16(20)18-15-8-3-11(19)9-14(15)17/h3-10,19H,1-2H3,(H,18,20)
InChIKeyAQLYTMNCAGXIEG-UHFFFAOYSA-N
XLogP4.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.28
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(5-fluoro-2-methylphenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 86918507
(2R)-N-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 7893786
(2R)-N-(4-methoxyphenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 25435383
(2R)-N-(3-chlorophenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 7893717
(2R)-N-(2-iodophenyl)-2-phenoxypropanamide
CID 1124071
N-cyclopropyl-2-(4-methylsulfanylphenoxy)propanamide
CID 78760023
(2R)-N-(2-hydroxy-4-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 92534084
(2S)-N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide
CID 7961263
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfanylphenoxy)propanamide
CID 7893768
2-(4-methylsulfanylphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 78760017
(2R)-N-(4-chloro-2-fluorophenyl)-2-(4-methylphenoxy)propanamide
CID 26529991
N-(2,5-dimethoxyphenyl)-2-(4-iodophenoxy)propanamide
CID 17360519

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-iodophenyl)-2-(4-methylsulfanylphenoxy)propanamide?
The IUPAC name of N-(4-hydroxy-2-iodophenyl)-2-(4-methylsulfanylphenoxy)propanamide (CID 119035409) is N-(4-hydroxy-2-iodophenyl)-2-(4-methylsulfanylphenoxy)propanamide.
What is the SMILES notation for N-(4-hydroxy-2-iodophenyl)-2-(4-methylsulfanylphenoxy)propanamide?
The canonical SMILES for N-(4-hydroxy-2-iodophenyl)-2-(4-methylsulfanylphenoxy)propanamide is CSc1ccc(OC(C)C(=O)Nc2ccc(O)cc2I)cc1.
What is the InChIKey of N-(4-hydroxy-2-iodophenyl)-2-(4-methylsulfanylphenoxy)propanamide?
The InChIKey is AQLYTMNCAGXIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO3S/c1-10(21-12-4-6-13(22-2)7-5-12)16(20)18-15-8-3-11(19)9-14(15)17/h3-10,19H,1-2H3,(H,18,20).
What are the key properties of N-(4-hydroxy-2-iodophenyl)-2-(4-methylsulfanylphenoxy)propanamide?
N-(4-hydroxy-2-iodophenyl)-2-(4-methylsulfanylphenoxy)propanamide has a molecular weight of 429.28 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-iodophenyl)-2-(4-methylsulfanylphenoxy)propanamide is sourced from PubChem (CID 119035409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).