2-(4-hydroxyphenyl)sulfanyl-N-(4-iodo-2-methylphenyl)acetamide

C15H14INO2S — CID 61031719

IUPAC2-(4-hydroxyphenyl)sulfanyl-N-(4-iodo-2-methylphenyl)acetamide
SMILESCc1cc(I)ccc1NC(=O)CSc1ccc(O)cc1
InChIInChI=1S/C15H14INO2S/c1-10-8-11(16)2-7-14(10)17-15(19)9-20-13-5-3-12(18)4-6-13/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyOQGNHHFTBACZDT-UHFFFAOYSA-N
MW399.25 g/mol
LogP4.04
Rot. Bonds4

About 2-(4-hydroxyphenyl)sulfanyl-N-(4-iodo-2-methylphenyl)acetamide

2-(4-hydroxyphenyl)sulfanyl-N-(4-iodo-2-methylphenyl)acetamide (PubChem CID 61031719) has the molecular formula C15H14INO2S and a molecular weight of 399.25 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)sulfanyl-N-(4-iodo-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)sulfanyl-N-(4-iodo-2-methylphenyl)acetamide
PubChem CID61031719
Molecular FormulaC15H14INO2S
Molecular Weight399.25 g/mol
Exact Mass398.98
IUPAC Name2-(4-hydroxyphenyl)sulfanyl-N-(4-iodo-2-methylphenyl)acetamide
SMILESCc1cc(I)ccc1NC(=O)CSc1ccc(O)cc1
InChIInChI=1S/C15H14INO2S/c1-10-8-11(16)2-7-14(10)17-15(19)9-20-13-5-3-12(18)4-6-13/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyOQGNHHFTBACZDT-UHFFFAOYSA-N
XLogP4.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 734052
2-(4-hydroxyphenyl)sulfanyl-N-(3-iodophenyl)acetamide
CID 47262894
N-(4-iodo-2-methylphenyl)-2-(trifluoromethylsulfanyl)acetamide
CID 55667551
2-(4-hydroxyphenyl)sulfanyl-N-(2,4,6-triiodophenyl)acetamide
CID 63427942
N-(4-iodo-2-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2210749
N-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528206
2-(2-aminoethylsulfanyl)-N-(4-iodo-2-methylphenyl)acetamide
CID 43249676
N-(2-chloro-4-iodophenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 2294415
2-(ethylamino)-N-(4-iodo-2-methylphenyl)acetamide
CID 4799659
[2-(4-iodo-2-methylanilino)-2-oxoethyl] 4-hydroxybenzoate
CID 3498018
N-(4-iodo-2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2347051
N-(4-iodo-2-methylphenyl)-3-oxobutanamide
CID 61250967

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)sulfanyl-N-(4-iodo-2-methylphenyl)acetamide?
The IUPAC name of 2-(4-hydroxyphenyl)sulfanyl-N-(4-iodo-2-methylphenyl)acetamide (CID 61031719) is 2-(4-hydroxyphenyl)sulfanyl-N-(4-iodo-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)sulfanyl-N-(4-iodo-2-methylphenyl)acetamide?
The canonical SMILES for 2-(4-hydroxyphenyl)sulfanyl-N-(4-iodo-2-methylphenyl)acetamide is Cc1cc(I)ccc1NC(=O)CSc1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)sulfanyl-N-(4-iodo-2-methylphenyl)acetamide?
The InChIKey is OQGNHHFTBACZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INO2S/c1-10-8-11(16)2-7-14(10)17-15(19)9-20-13-5-3-12(18)4-6-13/h2-8,18H,9H2,1H3,(H,17,19).
What are the key properties of 2-(4-hydroxyphenyl)sulfanyl-N-(4-iodo-2-methylphenyl)acetamide?
2-(4-hydroxyphenyl)sulfanyl-N-(4-iodo-2-methylphenyl)acetamide has a molecular weight of 399.25 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)sulfanyl-N-(4-iodo-2-methylphenyl)acetamide is sourced from PubChem (CID 61031719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).